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Analogs

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Popular Name: 1,3-dimethyl-5-(4-propylphenoxy)pyrazol-4-amine 1,3-dimethyl-5-(4-propylphenoxy)…

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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) 3.20 5.19 -5.94 2 4 0 53 245.326 4 ↓

Analogs

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Popular Name: 1,3-dimethyl-5-(4-propylphenoxy)pyrazole-4-carbaldehyde 1,3-dimethyl-5-(4-propylphenoxy)…

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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) 3.51 7.12 -6.55 0 4 0 44 258.321 5 ↓

Analogs

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Popular Name: [1,3-dimethyl-5-(4-propylphenoxy)pyrazol-4-yl]methanol [1,3-dimethyl-5-(4-propylphenoxy…

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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) 3.06 4.58 -8.22 1 4 0 47 260.337 5 ↓

Analogs

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Popular Name: 4-(chloromethyl)-1,3-dimethyl-5-(4-propylphenoxy)pyrazole 4-(chloromethyl)-1,3-dimethyl-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) 4.29 8.52 -5.82 0 3 0 27 278.783 5 ↓

Analogs

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Popular Name: 1-[1,3-dimethyl-5-(4-propylphenoxy)pyrazol-4-yl]-N-methyl-methanamine 1-[1,3-dimethyl-5-(4-propylpheno…

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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) 3.28 7.16 -37.52 2 4 1 44 274.388 6 ↓
Hi High (pH 8-9.5) 3.28 5.72 -5.13 1 4 0 39 273.38 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1,3-dimethyl-5-(4-propylphenoxy)pyrazol-4-yl]methyl]ethanamine N-[[1,3-dimethyl-5-(4-propylphen…

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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) 3.65 8.02 -36.4 2 4 1 44 288.415 7 ↓
Hi High (pH 8-9.5) 3.65 6.65 -4.96 1 4 0 39 287.407 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1,3-dimethyl-5-(4-propylphenoxy)pyrazol-4-yl]methanamine [1,3-dimethyl-5-(4-propylphenoxy…

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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) 2.90 5.29 -42.66 3 4 1 55 260.361 5 ↓
Hi High (pH 8-9.5) 2.90 4.89 -5.57 2 4 0 53 259.353 5 ↓

Analogs

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Popular Name: 1-methyl-5-phenoxy-3-(trifluoromethyl)pyrazole 1-methyl-5-phenoxy-3-(trifluorom…

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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 5.47 -4.89 0 3 0 27 242.2 3 ↓

Analogs

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Popular Name: 1,3-dimethyl-5-(2,3,5-trimethylphenoxy)-1H-pyrazole-4-carbonitrile 1,3-dimethyl-5-(2,3,5-trimethylp…

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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) 3.37 7.48 -7.51 0 4 0 51 255.321 2 ↓

Analogs

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Popular Name: 5-(3-tert-butylphenoxy)-4-(chloromethyl)-1,3-dimethyl-pyrazole 5-(3-tert-butylphenoxy)-4-(chlor…

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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) 4.67 8.62 -5.76 0 3 0 27 292.81 4 ↓

Analogs

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Popular Name: 5-(4-chloro-5-isopropyl-2-methyl-phenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde 5-(4-chloro-5-isopropyl-2-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) 4.23 7.95 -6.09 0 4 0 44 306.793 4 ↓

Analogs

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Popular Name: [5-(4-chloro-5-isopropyl-2-methyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine [5-(4-chloro-5-isopropyl-2-methy…

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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) 3.62 6.16 -44.41 3 4 1 55 308.833 4 ↓
Hi High (pH 8-9.5) 3.62 5.76 -5.43 2 4 0 53 307.825 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-5-[4-(2-methoxyethyl)phenoxy]-1,3-dimethyl-pyrazole 4-(chloromethyl)-5-[4-(2-methoxy…

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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) 3.15 6.81 -6.81 0 4 0 36 294.782 6 ↓

Analogs

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Popular Name: 5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazol-4-amine 5-(2,3-difluorophenoxy)-1,3-dime…

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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) 2.13 3.11 -7.92 2 4 0 53 239.225 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methylamino]ethyl]methanesulfonamide N-[2-[(1,3-dimethyl-5-phenoxy-py…

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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) 1.13 1.94 -53.21 3 7 1 90 339.441 8 ↓
Hi High (pH 8-9.5) 1.13 0.58 -14.32 2 7 0 85 338.433 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methylamino]-N,N-dimethyl-acetamide 2-[(1,3-dimethyl-5-phenoxy-pyraz…

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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) 0.88 5.4 -43.91 2 6 1 64 303.386 6 ↓
Mid Mid (pH 6-8) 0.88 4.07 -12.39 1 6 0 59 302.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1,3-dimethyl-5-phenoxy-pyrazol-4-yl)methyl]-2-methylsulfonyl-ethanamine N-[(1,3-dimethyl-5-phenoxy-pyraz…

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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) 1.37 3.33 -52.59 2 6 1 78 324.426 7 ↓
Mid Mid (pH 6-8) 1.37 1.98 -16.26 1 6 0 73 323.418 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde 5-(2,3-difluorophenoxy)-1,3-dime…

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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) 2.44 5.03 -8.55 0 4 0 44 252.22 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazole-4-carboxylic 5-(2,3-difluorophenoxy)-1,3-dime…

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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) 2.22 6.12 -53.45 0 5 -1 67 267.211 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methanol [5-(2,3-difluorophenoxy)-1,3-dim…

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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) 1.98 2.52 -9.36 1 4 0 47 254.236 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazole 4-(chloromethyl)-5-(2,3-difluoro…

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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) 3.22 6.43 -8.97 0 3 0 27 272.682 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[5-(2,3-difluorophenoxy)-1,3-d…

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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) 2.20 5.07 -40.73 2 4 1 44 268.287 4 ↓
Hi High (pH 8-9.5) 2.20 3.67 -7.97 1 4 0 39 267.279 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[5-(2,3-difluorophenoxy)-1,3-…

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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) 2.58 5.95 -39.15 2 4 1 44 282.314 5 ↓
Hi High (pH 8-9.5) 2.58 4.58 -8.66 1 4 0 39 281.306 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methyl]propan-1-amine N-[[5-(2,3-difluorophenoxy)-1,3-…

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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) 3.08 6.7 -39.89 2 4 1 44 296.341 6 ↓
Hi High (pH 8-9.5) 3.08 5.34 -8.54 1 4 0 39 295.333 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[5-(2,3-difluorophenoxy)-1,3-…

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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) 2.88 6.46 -38.7 2 4 1 44 296.341 5 ↓
Hi High (pH 8-9.5) 2.88 5.28 -7.74 1 4 0 39 295.333 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine [5-(2,3-difluorophenoxy)-1,3-dim…

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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) 1.83 3.2 -45.87 3 4 1 55 254.26 3 ↓
Hi High (pH 8-9.5) 1.83 2.79 -7.72 2 4 0 53 253.252 3 ↓

Analogs

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Popular Name: (E)-3-[5-(2,3-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-(2,3-difluorophenoxy)-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) 2.44 5.55 -56.03 0 5 -1 67 293.249 4 ↓

Analogs

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Popular Name: 1,3-dimethyl-5-[4-(methylamino)phenoxy]pyrazole-4-carboxamide 1,3-dimethyl-5-[4-(methylamino)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) 1.09 0.63 -11.16 3 6 0 82 260.297 4 ↓
Lo Low (pH 4.5-6) 1.09 1.2 -45.81 4 6 1 87 261.305 4 ↓

Analogs

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Popular Name: 2-(4-cyano-2,5-dimethyl-pyrazol-3-yl)oxybenzoic 2-(4-cyano-2,5-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) 2.11 6.8 -55.79 0 6 -1 91 256.241 3 ↓

Analogs

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Popular Name: 5-(2,5-dimethyl-4-nitro-phenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde 5-(2,5-dimethyl-4-nitro-phenoxy)…

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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) 2.92 6.92 -8.95 0 7 0 90 289.291 4 ↓

Analogs

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Popular Name: [5-(2,5-dimethyl-4-nitro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methanol [5-(2,5-dimethyl-4-nitro-phenoxy…

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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) 2.46 4.38 -9.22 1 7 0 93 291.307 4 ↓

Analogs

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Popular Name: 4-(chloromethyl)-5-(2,5-dimethyl-4-nitro-phenoxy)-1,3-dimethyl-pyrazole 4-(chloromethyl)-5-(2,5-dimethyl…

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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) 3.70 8.34 -7.43 0 6 0 73 309.753 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(2,5-dimethyl-4-nitro-phenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine [5-(2,5-dimethyl-4-nitro-phenoxy…

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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) 2.31 5.1 -51.01 3 7 1 101 291.331 4 ↓
Hi High (pH 8-9.5) 2.31 4.7 -7.4 2 7 0 99 290.323 4 ↓

Analogs

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Popular Name: 5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazol-4-amine 5-(3,5-difluorophenoxy)-1,3-dime…

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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) 2.15 3.12 -5.17 2 4 0 53 239.225 2 ↓

Analogs

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Popular Name: 5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde 5-(3,5-difluorophenoxy)-1,3-dime…

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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) 2.46 5.04 -6.5 0 4 0 44 252.22 3 ↓

Analogs

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Popular Name: 5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazole-4-carboxylic 5-(3,5-difluorophenoxy)-1,3-dime…

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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) 2.24 6.11 -47.27 0 5 -1 67 267.211 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methanol [5-(3,5-difluorophenoxy)-1,3-dim…

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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) 2.01 2.49 -7.06 1 4 0 47 254.236 3 ↓

Analogs

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Popular Name: 4-(chloromethyl)-5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazole 4-(chloromethyl)-5-(3,5-difluoro…

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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) 3.25 6.43 -5.21 0 3 0 27 272.682 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]-N-methyl-methanamine 1-[5-(3,5-difluorophenoxy)-1,3-d…

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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) 2.23 5.07 -40.05 2 4 1 44 268.287 4 ↓
Hi High (pH 8-9.5) 2.23 3.64 -4.67 1 4 0 39 267.279 4 ↓

Analogs

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Popular Name: N-[[5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[5-(3,5-difluorophenoxy)-1,3-…

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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) 2.60 5.99 -39.21 2 4 1 44 282.314 5 ↓
Hi High (pH 8-9.5) 2.60 4.62 -4.68 1 4 0 39 281.306 5 ↓

Analogs

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Popular Name: N-[[5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methyl]propan-1-amine N-[[5-(3,5-difluorophenoxy)-1,3-…

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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) 3.11 6.74 -39.98 2 4 1 44 296.341 6 ↓
Hi High (pH 8-9.5) 3.11 5.38 -4.6 1 4 0 39 295.333 6 ↓

Analogs

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Popular Name: N-[[5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[5-(3,5-difluorophenoxy)-1,3-…

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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) 2.90 6.47 -37.73 2 4 1 44 296.341 5 ↓
Hi High (pH 8-9.5) 2.90 5.25 -4.4 1 4 0 39 295.333 5 ↓

Analogs

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Popular Name: [5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]methanamine [5-(3,5-difluorophenoxy)-1,3-dim…

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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) 1.85 3.2 -45.4 3 4 1 55 254.26 3 ↓
Hi High (pH 8-9.5) 1.85 2.81 -5.11 2 4 0 53 253.252 3 ↓

Analogs

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Popular Name: (E)-3-[5-(3,5-difluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic (E)-3-[5-(3,5-difluorophenoxy)-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) 2.46 5.57 -50.81 0 5 -1 67 293.249 4 ↓

Analogs

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Popular Name: N-[5-(3-fluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]-3-isobutoxy-propanamide N-[5-(3-fluorophenoxy)-1,3-dimet…

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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) 3.11 6.41 -11.98 1 6 0 65 349.406 8 ↓

Analogs

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Popular Name: N-(ethylcarbamoyl)-2-[[5-(3-fluorophenoxy)-1,3-dimethyl-pyrazol-4-yl]amino]acetamide N-(ethylcarbamoyl)-2-[[5-(3-fluo…

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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) 2.04 3.51 -16.63 3 8 0 97 349.366 6 ↓

Analogs

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Popular Name: 5-(5-amino-2-chloro-phenoxy)-1,3-dimethyl-pyrazole-4-carbonitrile 5-(5-amino-2-chloro-phenoxy)-1,3…

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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) 1.85 3.97 -8.59 2 5 0 77 262.7 2 ↓

Analogs

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Popular Name: 5-(2-chloro-5-nitro-phenoxy)-1,3-dimethyl-pyrazole-4-carbonitrile 5-(2-chloro-5-nitro-phenoxy)-1,3…

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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) 2.73 6.81 -9.83 0 7 0 97 292.682 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-chloro-5-nitro-phenoxy)-1,3-dimethyl-pyrazole-4-carboxamidine 5-(2-chloro-5-nitro-phenoxy)-1,3…

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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) 1.36 4 -34.43 4 8 1 124 310.721 4 ↓

Analogs

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Popular Name: 5-(2-chloro-5-nitro-phenoxy)-1,3-dimethyl-pyrazole-4-carbaldehyde 5-(2-chloro-5-nitro-phenoxy)-1,3…

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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) 2.77 6.13 -10.57 0 7 0 90 295.682 4 ↓

Parameters Provided:

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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 = 43850 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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