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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 5-ethyl-3-isobutyl-1-methyl-N-(3-pyridylmethyl)pyrazole-4-carboxamide 5-ethyl-3-isobutyl-1-methyl-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) 2.01 6.39 -11.12 1 5 0 60 300.406 6 ↓
Lo Low (pH 4.5-6) 2.01 6.68 -42.78 2 5 1 61 301.414 6 ↓

Analogs

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

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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) 1.74 5.59 -11.4 1 5 0 60 286.379 5 ↓
Lo Low (pH 4.5-6) 1.74 6.05 -43.83 2 5 1 61 287.387 5 ↓

Analogs

36163429
36163429

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Popular Name: N-[(1S)-1-(3-pyridyl)ethyl]-1H-pyrazole-4-carboxamide N-[(1S)-1-(3-pyridyl)ethyl]-1H-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) 0.16 2.1 -10.17 2 5 0 71 216.244 3 ↓
Lo Low (pH 4.5-6) 0.16 2.58 -41.9 3 5 1 72 217.252 3 ↓

Analogs

36163426
36163426

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Popular Name: N-[(1R)-1-(3-pyridyl)ethyl]-1H-pyrazole-4-carboxamide N-[(1R)-1-(3-pyridyl)ethyl]-1H-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) 0.16 2.1 -10.15 2 5 0 71 216.244 3 ↓
Lo Low (pH 4.5-6) 0.16 2.58 -41.88 3 5 1 72 217.252 3 ↓

Analogs

36163440
36163440

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1S)-1-(3-pyridyl)ethyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(1S)-1-(3-pyridy…

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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) 0.61 3.17 -10.44 2 5 0 71 244.298 3 ↓
Lo Low (pH 4.5-6) 0.61 3.66 -42.96 3 5 1 72 245.306 3 ↓

Analogs

36163437
36163437

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[(1R)-1-(3-pyridyl)ethyl]-1H-pyrazole-4-carboxamide 3,5-dimethyl-N-[(1R)-1-(3-pyridy…

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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) 0.61 3.17 -10.62 2 5 0 71 244.298 3 ↓
Lo Low (pH 4.5-6) 0.61 3.66 -42.35 3 5 1 72 245.306 3 ↓

Analogs

37842040
37842040
37842250
37842250
37986646
37986646

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N-methyl-N-(3-pyridylmethyl)-1H-…

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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) -0.62 3 -13.45 1 5 0 62 216.244 3 ↓
Lo Low (pH 4.5-6) -0.62 3.45 -35.99 2 5 1 63 217.252 3 ↓

Analogs

37841100
37841100
37842043
37842043

Draw Identity 99% 90% 80% 70%

Popular Name: N,3,5-trimethyl-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N,3,5-trimethyl-N-(3-pyridylmeth…

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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) -0.18 4.41 -11.09 1 5 0 62 244.298 3 ↓
Lo Low (pH 4.5-6) -0.18 4.88 -41.73 2 5 1 63 245.306 3 ↓

Analogs

37842250
37842250

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Popular Name: N-(2-cyanoethyl)-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N-(2-cyanoethyl)-N-(3-pyridylmet…

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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) -1.17 4.21 -15.1 1 6 0 86 255.281 5 ↓
Lo Low (pH 4.5-6) -1.17 4.68 -47.81 2 6 1 87 256.289 5 ↓

Analogs

37841100
37841100

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-3,5-dimethyl-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N-(2-cyanoethyl)-3,5-dimethyl-N-…

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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) -0.72 5.64 -16.02 1 6 0 86 283.335 5 ↓
Lo Low (pH 4.5-6) -0.72 6.11 -49.51 2 6 1 87 284.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminopropyl)-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N-(3-aminopropyl)-N-(3-pyridylme…

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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) -1.55 1.91 -58.17 4 6 1 90 260.321 6 ↓
Lo Low (pH 4.5-6) -1.55 2.38 -106.11 5 6 2 91 261.329 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-3-thioxo-propyl)-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N-(3-amino-3-thioxo-propyl)-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) -1.44 2.89 -15.51 3 6 0 88 289.364 6 ↓
Lo Low (pH 4.5-6) -1.44 3.35 -43.03 4 6 1 89 290.372 6 ↓

Analogs

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Popular Name: N-[(3E)-3-amino-3-hydroxyimino-propyl]-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N-[(3E)-3-amino-3-hydroxyimino-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) -1.34 0.26 -14.38 4 8 0 120 288.311 6 ↓
Lo Low (pH 4.5-6) -1.34 0.71 -47.78 5 8 1 122 289.319 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxy-3-pyridyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide N-[(2-methoxy-3-pyridyl)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) 0.17 0.39 -10.68 2 6 0 80 246.27 4 ↓

Analogs

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Popular Name: N-[(6-methoxy-3-pyridyl)methyl]-1H-pyrazole-4-carboxamide N-[(6-methoxy-3-pyridyl)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) 0.00 -0.24 -10.71 2 6 0 80 232.243 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-methoxy-3-pyridyl)methyl]-1H-pyrazole-4-carboxamide N-[(2-methoxy-3-pyridyl)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) -0.05 -0.19 -11.39 2 6 0 80 232.243 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dimethyl-N-[(6-methyl-3-pyridyl)methyl]pyrazole-4-carboxamide 1,5-dimethyl-N-[(6-methyl-3-pyri…

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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) -0.05 3.72 -10.66 1 5 0 60 244.298 3 ↓
Lo Low (pH 4.5-6) -0.05 4.16 -38.54 2 5 1 61 245.306 3 ↓

Analogs

36166477
36166477
36164377
36164377

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N-isopropyl-N-(3-pyridylmethyl)-…

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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) 0.05 4.12 -10.72 1 5 0 62 244.298 4 ↓
Lo Low (pH 4.5-6) 0.05 4.58 -41.69 2 5 1 63 245.306 4 ↓

Analogs

36166483
36166483
36164383
36164383

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-3,5-dimethyl-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N-isopropyl-3,5-dimethyl-N-(3-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) 0.49 5.47 -10.21 1 5 0 62 272.352 4 ↓
Lo Low (pH 4.5-6) 0.49 5.94 -40.12 2 5 1 63 273.36 4 ↓

Analogs

36164656
36164656
36166477
36166477
36164377
36164377

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-dimethylaminoethyl)-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N-(2-dimethylaminoethyl)-N-(3-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) -0.59 5.08 -55 2 6 1 66 274.348 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-1-ethyl-3,5-dimethyl-pyrazole-4-carboxamide N-[[2-(dimethylamino)-3-pyridyl]…

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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 6.61 -40.05 2 6 1 64 302.402 5 ↓
Mid Mid (pH 6-8) 0.88 6.3 -12.58 1 6 0 63 301.394 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,5-dimethyl-N-(3-pyridylmethyl)-1H-pyrazole-4-carboxamide N,5-dimethyl-N-(3-pyridylmethyl)…

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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) -0.40 3.61 -10.24 1 5 0 62 230.271 3 ↓

Parameters Provided:

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