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Analogs

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Popular Name: N-[2-(1-but-2-ynoyl-4-piperidyl)pyrazol-3-yl]-3-methyl-butanamide N-[2-(1-but-2-ynoyl-4-piperidyl)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 0.93 -18.87 1 6 0 67 316.405 4 ↓

Analogs

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Popular Name: 4-(4-chloro-3-nitro-pyrazol-1-yl)piperidine 4-(4-chloro-3-nitro-pyrazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.90 5.29 -59.29 2 6 1 80 231.663 2 ↓

Analogs

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Popular Name: 4-(4-methyl-3-nitro-pyrazol-1-yl)piperidine 4-(4-methyl-3-nitro-pyrazol-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.67 5.41 -59.27 2 6 1 80 211.245 2 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.81 7.46 -13.92 2 7 0 90 322.409 7 ↓
Lo Low (pH 4.5-6) 1.81 7.61 -41.96 3 7 1 92 323.417 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.79 7.98 -13.84 2 7 0 90 336.436 7 ↓
Lo Low (pH 4.5-6) 1.79 8.13 -42.09 3 7 1 92 337.444 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 8.24 -13.88 2 7 0 90 336.436 8 ↓
Lo Low (pH 4.5-6) 2.32 8.4 -42.01 3 7 1 92 337.444 8 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 7.8 -12.38 2 7 0 90 336.436 6 ↓
Lo Low (pH 4.5-6) 1.84 7.96 -40.45 3 7 1 92 337.444 6 ↓

Analogs

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Popular Name: N-[1-(4-piperidyl)pyrazol-4-yl]propanamide N-[1-(4-piperidyl)pyrazol-4-yl]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.20 2.79 -56.64 3 5 1 64 223.3 3 ↓

Analogs

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Popular Name: N-[1-(4-piperidyl)pyrazol-4-yl]prop-2-ynamide N-[1-(4-piperidyl)pyrazol-4-yl]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.52 2.46 -57.72 3 5 1 64 219.268 2 ↓

Analogs

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Popular Name: N-[1-(4-piperidyl)pyrazol-4-yl]prop-2-enamide N-[1-(4-piperidyl)pyrazol-4-yl]p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.04 2.51 -56.58 3 5 1 64 221.284 3 ↓

Analogs

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Popular Name: [1-(4-piperidyl)pyrazol-4-yl]urea [1-(4-piperidyl)pyrazol-4-yl]urea

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.73 -0.8 -57.34 5 6 1 90 210.261 2 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.15 1.25 -55.08 3 6 1 73 225.272 3 ↓

Analogs

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Popular Name: N-[1-(4-piperidyl)pyrazol-4-yl]methanesulfonamide N-[1-(4-piperidyl)pyrazol-4-yl]m…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.63 -0.24 -58.58 3 6 1 81 245.328 3 ↓
Mid Mid (pH 6-8) -0.63 -0.19 -71.31 2 6 0 83 244.32 3 ↓

Analogs

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Popular Name: N-[2-[1-[(2R)-2-aminopentanoyl]-4-piperidyl]pyrazol-3-yl]-2,2-dimethyl-propanamide N-[2-[1-[(2R)-2-aminopentanoyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 5.87 -55.68 4 7 1 95 350.487 6 ↓
Hi High (pH 8-9.5) 1.43 5.53 -16.53 3 7 0 93 349.479 6 ↓

Analogs

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Popular Name: N-[2-[1-[(2R)-2-amino-4,4-dimethyl-pentanoyl]-4-piperidyl]pyrazol-3-yl]-3-methyl-butanamide N-[2-[1-[(2R)-2-amino-4,4-dimeth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.92 7.23 -53.18 4 7 1 95 378.541 7 ↓
Mid Mid (pH 6-8) 1.92 6.94 -16.97 3 7 0 93 377.533 7 ↓

Analogs

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Popular Name: N,5-dimethyl-1-(1-methyl-4-piperidyl)-3-(trifluoromethyl)pyrazole-4-carboxamide N,5-dimethyl-1-(1-methyl-4-piper…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 5.06 -50.55 2 5 1 51 305.324 3 ↓
Hi High (pH 8-9.5) 1.28 2.66 -11.86 1 5 0 50 304.316 3 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-5-methyl-1-(1-methyl-4-piperidyl)-3-(trifluoromethyl)pyrazole-4-carboxamide N-(2-methoxyethyl)-5-methyl-1-(1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 4.99 -49.47 2 6 1 61 349.377 6 ↓
Hi High (pH 8-9.5) 1.27 2.6 -11.18 1 6 0 59 348.369 6 ↓

Analogs

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Popular Name: N-butyl-N,5-dimethyl-1-(1-methyl-4-piperidyl)-3-(trifluoromethyl)pyrazole-4-carboxamide N-butyl-N,5-dimethyl-1-(1-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.50 9.52 -50.84 1 5 1 43 361.432 6 ↓
Hi High (pH 8-9.5) 2.50 7.12 -12.03 0 5 0 41 360.424 6 ↓

Analogs

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Popular Name: N-butyl-N-ethyl-5-methyl-1-(1-methyl-4-piperidyl)-3-(trifluoromethyl)pyrazole-4-carboxamide N-butyl-N-ethyl-5-methyl-1-(1-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.87 10.24 -50.62 1 5 1 43 375.459 7 ↓
Hi High (pH 8-9.5) 2.87 7.84 -11.67 0 5 0 41 374.451 7 ↓

Analogs

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Popular Name: N-(3-methoxypropyl)-5-methyl-1-(1-methyl-4-piperidyl)-3-(trifluoromethyl)pyrazole-4-carboxamide N-(3-methoxypropyl)-5-methyl-1-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 5.74 -50.58 2 6 1 61 363.404 7 ↓
Hi High (pH 8-9.5) 1.54 3.34 -11.93 1 6 0 59 362.396 7 ↓

Analogs

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Popular Name: N-(3-isopropoxypropyl)-5-methyl-1-(1-methyl-4-piperidyl)-3-(trifluoromethyl)pyrazole-4-carboxamide N-(3-isopropoxypropyl)-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.28 7.45 -50.39 2 6 1 61 391.458 8 ↓
Hi High (pH 8-9.5) 2.28 5.05 -11.77 1 6 0 59 390.45 8 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.52 6.95 -49.71 2 7 1 78 377.387 7 ↓
Hi High (pH 8-9.5) 1.52 4.55 -11.47 1 7 0 76 376.379 7 ↓

Analogs

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Popular Name: N-(2-diethylaminoethyl)-5-methyl-1-(1-methyl-4-piperidyl)-3-(trifluoromethyl)pyrazole-4-carboxamide N-(2-diethylaminoethyl)-5-methyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 8.54 -91.39 3 6 2 56 391.482 8 ↓
Hi High (pH 8-9.5) 2.07 6.17 -44.12 2 6 1 55 390.474 8 ↓

Analogs

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Popular Name: 5-methyl-1-(1-methyl-4-piperidyl)-N-pentyl-3-(trifluoromethyl)pyrazole-4-carboxamide 5-methyl-1-(1-methyl-4-piperidyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 8.24 -49.91 2 5 1 51 361.432 7 ↓
Hi High (pH 8-9.5) 3.23 5.84 -10.98 1 5 0 50 360.424 7 ↓

Analogs

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Popular Name: 1-(1-isopropyl-4-piperidyl)-N,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide 1-(1-isopropyl-4-piperidyl)-N,5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.96 6.24 -48.38 2 5 1 51 333.378 4 ↓
Hi High (pH 8-9.5) 1.96 4.03 -11.5 1 5 0 50 332.37 4 ↓

Analogs

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Popular Name: 1-(1-isopropyl-4-piperidyl)-N-(2-methoxyethyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide 1-(1-isopropyl-4-piperidyl)-N-(2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 6.17 -47.25 2 6 1 61 377.431 7 ↓
Hi High (pH 8-9.5) 1.94 3.97 -10.87 1 6 0 59 376.423 7 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-1-(1-isopropyl-4-piperidyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxam N-(2-dimethylaminoethyl)-1-(1-is…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.99 8.38 -91.65 3 6 2 56 391.482 7 ↓
Hi High (pH 8-9.5) 1.99 6.16 -45.83 2 6 1 55 390.474 7 ↓

Analogs

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Popular Name: N-(2-cyanoethyl)-1-(1-isopropyl-4-piperidyl)-N,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide N-(2-cyanoethyl)-1-(1-isopropyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.19 9.64 -52.28 1 6 1 66 386.442 6 ↓
Hi High (pH 8-9.5) 1.19 7.43 -14.61 0 6 0 65 385.434 6 ↓

Analogs

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Popular Name: N-ethyl-1-(1-isopropyl-4-piperidyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide N-ethyl-1-(1-isopropyl-4-piperid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.33 7.1 -47.9 2 5 1 51 347.405 5 ↓
Hi High (pH 8-9.5) 2.33 4.89 -10.94 1 5 0 50 346.397 5 ↓

Analogs

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Popular Name: 1-(1-isopropyl-4-piperidyl)-5-methyl-N-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide 1-(1-isopropyl-4-piperidyl)-5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.84 7.86 -47.91 2 5 1 51 361.432 6 ↓
Hi High (pH 8-9.5) 2.84 5.66 -10.82 1 5 0 50 360.424 6 ↓

Analogs

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Popular Name: N-butyl-1-(1-isopropyl-4-piperidyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide N-butyl-1-(1-isopropyl-4-piperid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.40 8.63 -47.82 2 5 1 51 375.459 7 ↓
Hi High (pH 8-9.5) 3.40 6.43 -10.69 1 5 0 50 374.451 7 ↓

Analogs

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Popular Name: 1-(1-isopropyl-4-piperidyl)-5-methyl-N-[(1R)-1-methylpropyl]-3-(trifluoromethyl)pyrazole-4-carboxami 1-(1-isopropyl-4-piperidyl)-5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 8.86 -47.66 2 5 1 51 375.459 6 ↓
Hi High (pH 8-9.5) 3.17 6.66 -10.75 1 5 0 50 374.451 6 ↓

Analogs

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Popular Name: 1-(1-isopropyl-4-piperidyl)-5-methyl-N-[(1S)-1-methylpropyl]-3-(trifluoromethyl)pyrazole-4-carboxami 1-(1-isopropyl-4-piperidyl)-5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.17 8.86 -47.75 2 5 1 51 375.459 6 ↓
Hi High (pH 8-9.5) 3.17 6.66 -10.89 1 5 0 50 374.451 6 ↓

Analogs

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Popular Name: N-allyl-1-(1-isopropyl-4-piperidyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide N-allyl-1-(1-isopropyl-4-piperid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.60 7.63 -47.51 2 5 1 51 359.416 6 ↓
Hi High (pH 8-9.5) 2.60 5.43 -10.6 1 5 0 50 358.408 6 ↓

Analogs

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Popular Name: N-isopentyl-1-(1-isopropyl-4-piperidyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide N-isopentyl-1-(1-isopropyl-4-pip…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.61 9.14 -47.82 2 5 1 51 389.486 7 ↓
Hi High (pH 8-9.5) 3.61 6.93 -10.69 1 5 0 50 388.478 7 ↓

Analogs

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Popular Name: 1-(1-isopropyl-4-piperidyl)-N-(3-methoxypropyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide 1-(1-isopropyl-4-piperidyl)-N-(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 6.91 -48.51 2 6 1 61 391.458 8 ↓
Hi High (pH 8-9.5) 2.21 4.71 -11.54 1 6 0 59 390.45 8 ↓

Analogs

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Popular Name: N-(3-hydroxypropyl)-1-(1-isopropyl-4-piperidyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide N-(3-hydroxypropyl)-1-(1-isoprop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 4.51 -49.2 3 6 1 72 377.431 7 ↓
Hi High (pH 8-9.5) 1.60 2.3 -12.29 2 6 0 70 376.423 7 ↓

Analogs

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Popular Name: N-[(2R)-2-hydroxypropyl]-1-(1-isopropyl-4-piperidyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxam N-[(2R)-2-hydroxypropyl]-1-(1-is…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 4.59 -50.23 3 6 1 72 377.431 6 ↓
Hi High (pH 8-9.5) 1.69 2.17 -13.3 2 6 0 70 376.423 6 ↓

Analogs

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Popular Name: N-[(2S)-2-hydroxypropyl]-1-(1-isopropyl-4-piperidyl)-5-methyl-3-(trifluoromethyl)pyrazole-4-carboxam N-[(2S)-2-hydroxypropyl]-1-(1-is…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.69 4.54 -48.25 3 6 1 72 377.431 6 ↓
Hi High (pH 8-9.5) 1.69 2.12 -11.58 2 6 0 70 376.423 6 ↓

Analogs

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Popular Name: 1-(1-isopropyl-4-piperidyl)-5-methyl-N-pentyl-3-(trifluoromethyl)pyrazole-4-carboxamide 1-(1-isopropyl-4-piperidyl)-5-me…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 9.41 -47.81 2 5 1 51 389.486 8 ↓
Hi High (pH 8-9.5) 3.90 7.21 -10.68 1 5 0 50 388.478 8 ↓

Analogs

20313348
20313348
20313344
20313344

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Popular Name: 4-(4-methyl-1H-pyrazol-1-yl)piperidine 4-(4-methyl-1H-pyrazol-1-yl)pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.59 3.8 -46.95 2 3 1 34 166.248 1 ↓

Analogs

20445488
20445488
20313381
20313381

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Popular Name: 4-(3,4,5-trimethylpyrazol-1-yl)piperidine 4-(3,4,5-trimethylpyrazol-1-yl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 5 -44 2 3 1 34 194.302 1 ↓

Analogs

20445488
20445488

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Popular Name: 4-(4-ethyl-3,5-dimethyl-pyrazol-1-yl)piperidine 4-(4-ethyl-3,5-dimethyl-pyrazol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.50 5.74 -43.67 2 3 1 34 208.329 2 ↓

Analogs

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Popular Name: N-[2-[1-[(2R)-2-amino-4-methyl-pentanoyl]-4-piperidyl]pyrazol-3-yl]-3-methyl-butanamide N-[2-[1-[(2R)-2-amino-4-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.60 6.52 -54.99 4 7 1 95 364.514 7 ↓
Mid Mid (pH 6-8) 1.60 6.2 -16.56 3 7 0 93 363.506 7 ↓

Analogs

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Popular Name: N-[2-[1-(3-hydroxypropyl)-4-piperidyl]pyrazol-3-yl]-2,2-dimethyl-propanamide N-[2-[1-(3-hydroxypropyl)-4-pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 5.48 -51.06 3 6 1 72 309.434 6 ↓
Hi High (pH 8-9.5) 1.45 3.23 -12.54 2 6 0 70 308.426 6 ↓

Analogs

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Popular Name: N-[2-[1-[(2S)-2-aminopentanoyl]-4-piperidyl]pyrazol-3-yl]-2,2-dimethyl-propanamide N-[2-[1-[(2S)-2-aminopentanoyl]-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.43 5.87 -53.75 4 7 1 95 350.487 6 ↓
Hi High (pH 8-9.5) 1.43 5.57 -15.46 3 7 0 93 349.479 6 ↓

Analogs

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Popular Name: N-[2-[1-(2-aminoacetyl)-4-piperidyl]pyrazol-3-yl]-2,2-dimethyl-propanamide N-[2-[1-(2-aminoacetyl)-4-piperi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.06 3.83 -58.16 4 7 1 95 308.406 4 ↓
Hi High (pH 8-9.5) -0.06 3.43 -18.07 3 7 0 93 307.398 4 ↓

Analogs

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Popular Name: N-[2-[1-(2-amino-2-oxo-ethyl)-4-piperidyl]pyrazol-3-yl]-2,2-dimethyl-propanamide N-[2-[1-(2-amino-2-oxo-ethyl)-4-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.54 4.3 -55.08 4 7 1 94 308.406 5 ↓
Mid Mid (pH 6-8) 0.54 2.11 -18.23 3 7 0 93 307.398 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[1-[(2R)-2-amino-4-methyl-pentanoyl]-4-piperidyl]pyrazol-3-yl]-2,2-dimethyl-propanamide N-[2-[1-[(2R)-2-amino-4-methyl-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 6.38 -55.12 4 7 1 95 364.514 6 ↓
Mid Mid (pH 6-8) 1.65 6.09 -15.16 3 7 0 93 363.506 6 ↓

Analogs

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Popular Name: N-[2-[1-[(2R)-2-amino-3-methyl-butanoyl]-4-piperidyl]pyrazol-3-yl]-2,2-dimethyl-propanamide N-[2-[1-[(2R)-2-amino-3-methyl-b…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.12 5.71 -54.47 4 7 1 95 350.487 5 ↓
Hi High (pH 8-9.5) 1.12 5.22 -16.38 3 7 0 93 349.479 5 ↓

Parameters Provided:

ring.id = 48968
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 48968 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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