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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: 3,5-dimethyl-1-(4-pyridylmethyl)pyrazole-4-carbaldehyde 3,5-dimethyl-1-(4-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) 0.85 5.18 -14.08 0 4 0 48 215.256 3 ↓
Lo Low (pH 4.5-6) 0.85 5.64 -45.82 1 4 1 49 216.264 3 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]methanol [3,5-dimethyl-1-(4-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 2.63 -11.28 1 4 0 51 217.272 3 ↓
Lo Low (pH 4.5-6) 0.40 3.09 -39.09 2 4 1 52 218.28 3 ↓

Analogs

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Popular Name: [3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]methanamine [3,5-dimethyl-1-(4-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) 0.25 3.35 -49.79 3 4 1 58 217.296 3 ↓
Hi High (pH 8-9.5) 0.25 2.94 -9.25 2 4 0 57 216.288 3 ↓
Lo Low (pH 4.5-6) 0.25 3.8 -95.03 4 4 2 60 218.304 3 ↓

Analogs

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Popular Name: 1-[3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]-N-methyl-methanamine 1-[3,5-dimethyl-1-(4-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) 0.62 5.22 -44.59 2 4 1 47 231.323 4 ↓
Hi High (pH 8-9.5) 0.62 3.77 -8.09 1 4 0 43 230.315 4 ↓
Lo Low (pH 4.5-6) 0.62 5.68 -90.11 3 4 2 49 232.331 4 ↓

Analogs

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Popular Name: N-[[3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]methyl]ethanamine N-[[3,5-dimethyl-1-(4-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) 1.00 5.97 -43.85 2 4 1 47 245.35 5 ↓
Hi High (pH 8-9.5) 1.00 4.6 -7.78 1 4 0 43 244.342 5 ↓
Lo Low (pH 4.5-6) 1.00 6.42 -89.37 3 4 2 49 246.358 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]methyl]propan-1-amine N-[[3,5-dimethyl-1-(4-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) 1.50 6.72 -44.6 2 4 1 47 259.377 6 ↓
Hi High (pH 8-9.5) 1.50 5.36 -7.65 1 4 0 43 258.369 6 ↓
Lo Low (pH 4.5-6) 1.50 7.18 -90.7 3 4 2 49 260.385 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]methyl]propan-2-amine N-[[3,5-dimethyl-1-(4-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) 1.30 6.6 -42.16 2 4 1 47 259.377 5 ↓
Hi High (pH 8-9.5) 1.30 5.38 -7.68 1 4 0 43 258.369 5 ↓
Lo Low (pH 4.5-6) 1.30 7.06 -88.7 3 4 2 49 260.385 5 ↓

Analogs

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Popular Name: 4-[[4-(chloromethyl)-3,5-dimethyl-pyrazol-1-yl]methyl]pyridine 4-[[4-(chloromethyl)-3,5-dimethy…

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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) 1.64 6.59 -9.45 0 3 0 31 235.718 3 ↓
Lo Low (pH 4.5-6) 1.64 7.04 -37.8 1 3 1 32 236.726 3 ↓

Analogs

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Popular Name: 4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyridine-2-carbonitrile 4-[(4-bromo-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) 2.08 6.31 -13.14 0 4 0 55 291.152 2 ↓

Analogs

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Popular Name: 2-[3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]ethanamine 2-[3,5-dimethyl-1-(4-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) 0.05 4.11 -51.89 3 4 1 58 231.323 4 ↓
Lo Low (pH 4.5-6) 0.05 4.56 -94.56 4 4 2 60 232.331 4 ↓

Analogs

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Popular Name: (2R)-1-[3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]propan-2-amine (2R)-1-[3,5-dimethyl-1-(4-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) 0.45 4.85 -43.52 3 4 1 58 245.35 4 ↓
Lo Low (pH 4.5-6) 0.45 5.31 -89.97 4 4 2 60 246.358 4 ↓

Analogs

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Popular Name: (2S)-1-[3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]propan-2-amine (2S)-1-[3,5-dimethyl-1-(4-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) 0.45 4.85 -47.94 3 4 1 58 245.35 4 ↓
Lo Low (pH 4.5-6) 0.45 5.31 -98.73 4 4 2 60 246.358 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]butan-2-amine (2S)-1-[3,5-dimethyl-1-(4-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) 0.98 5.55 -43.44 3 4 1 58 259.377 5 ↓
Lo Low (pH 4.5-6) 0.98 6.01 -90.01 4 4 2 60 260.385 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3,5-dimethyl-1-(4-pyridylmethyl)pyrazol-4-yl]butan-2-amine (2R)-1-[3,5-dimethyl-1-(4-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) 0.98 5.61 -47.12 3 4 1 58 259.377 5 ↓
Lo Low (pH 4.5-6) 0.98 6.07 -98.25 4 4 2 60 260.385 5 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 1.23 6.03 -21.42 1 8 0 89 345.403 7 ↓
Lo Low (pH 4.5-6) 1.23 6.49 -47.11 2 8 1 91 346.411 7 ↓

Analogs

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Popular Name: 4-chloro-1-(4-pyridylmethyl)pyrazol-3-amine 4-chloro-1-(4-pyridylmethyl)pyra…

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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 3.76 -8.97 2 4 0 57 208.652 2 ↓
Lo Low (pH 4.5-6) 0.90 4.22 -36.81 3 4 1 58 209.66 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-amino-4-chloro-pyrazol-1-yl)methyl]pyridine-2-carbonitrile 4-[(3-amino-4-chloro-pyrazol-1-y…

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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 4.06 -11.95 2 5 0 81 233.662 2 ↓

Analogs

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Popular Name: [4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]-2-pyridyl]hydrazine [4-[(4-chloro-3-nitro-pyrazol-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) 0.96 5.2 -16.67 3 8 0 115 268.664 4 ↓
Mid Mid (pH 6-8) 0.96 5.67 -43.2 4 8 1 116 269.672 4 ↓

Analogs

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Popular Name: 4-[(4-chloro-3-nitro-pyrazol-1-yl)methyl]pyridine 4-[(4-chloro-3-nitro-pyrazol-1-y…

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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) 1.38 6.53 -15.27 0 6 0 77 238.634 3 ↓
Lo Low (pH 4.5-6) 1.38 6.99 -46.4 1 6 1 78 239.642 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-1-(4-pyridylmethyl)pyrazol-3-amine 4-methyl-1-(4-pyridylmethyl)pyra…

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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) 0.68 3.94 -9.34 2 4 0 57 188.234 2 ↓
Lo Low (pH 4.5-6) 0.68 4.39 -35.58 3 4 1 58 189.242 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-amino-4-methyl-pyrazol-1-yl)methyl]pyridine-2-carbonitrile 4-[(3-amino-4-methyl-pyrazol-1-y…

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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) 0.89 4.23 -13.36 2 5 0 81 213.244 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(4-methyl-3-nitro-pyrazol-1-yl)methyl]-2-pyridyl]hydrazine [4-[(4-methyl-3-nitro-pyrazol-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) 0.74 5.31 -17.01 3 8 0 115 248.246 4 ↓
Mid Mid (pH 6-8) 0.74 5.79 -42.15 4 8 1 116 249.254 4 ↓

Parameters Provided:

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