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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: 1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]ethanone 1-[1-(cyclopentylmethyl)-3,5-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) 2.44 7.11 -8.62 0 3 0 35 220.316 3 ↓

Analogs

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Popular Name: 1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone 1-[1-(cyclopentylmethyl)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) 2.00 6.36 -7.78 0 3 0 35 192.262 3 ↓

Analogs

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Popular Name: 1-Cyclopentylmethyl-1H-pyrazole-4-carbaldehyde 1-Cyclopentylmethyl-1H-pyrazole-…

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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) 1.89 5.58 -11.21 0 3 0 35 178.235 3 ↓

Analogs

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Popular Name: 1-[1-(cyclopentylmethyl)pyrazol-4-yl]propan-1-one 1-[1-(cyclopentylmethyl)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) 2.50 7.19 -7.52 0 3 0 35 206.289 4 ↓

Analogs

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Popular Name: 1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-one 1-[1-(cyclopentylmethyl)-3,5-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) 2.94 8.28 -8.83 0 3 0 35 234.343 4 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]ethanamine (1R)-1-[1-(cyclopentylmethyl)-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) 0.41 5.24 -43.37 3 3 1 45 222.356 3 ↓
Hi High (pH 8-9.5) 0.41 4.91 -6.46 2 3 0 44 221.348 3 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]ethanamine (1S)-1-[1-(cyclopentylmethyl)-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) 0.41 5.18 -46.04 3 3 1 45 222.356 3 ↓
Hi High (pH 8-9.5) 0.41 4.91 -5.61 2 3 0 44 221.348 3 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-amine (1S)-1-[1-(cyclopentylmethyl)-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) 0.91 6.38 -41.84 3 3 1 45 236.383 4 ↓
Hi High (pH 8-9.5) 0.91 6.07 -4.9 2 3 0 44 235.375 4 ↓
Lo Low (pH 4.5-6) 0.91 6.12 -98.95 4 3 2 47 237.391 4 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-amine (1R)-1-[1-(cyclopentylmethyl)-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) 0.91 6.47 -42.31 3 3 1 45 236.383 4 ↓
Hi High (pH 8-9.5) 0.91 6.16 -5.94 2 3 0 44 235.375 4 ↓
Lo Low (pH 4.5-6) 0.91 6.21 -98.88 4 3 2 47 237.391 4 ↓

Analogs

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Popular Name: C-(1-Cyclopentylmethyl-1H-pyrazol-4-yl)-methylamine C-(1-Cyclopentylmethyl-1H-pyrazo…

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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 3.88 -45.55 3 3 1 45 180.275 3 ↓
Hi High (pH 8-9.5) 1.28 3.48 -5.53 2 3 0 44 179.267 3 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanamine (1S)-1-[1-(cyclopentylmethyl)pyr…

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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 4.54 -43.63 3 3 1 45 194.302 3 ↓
Hi High (pH 8-9.5) -0.04 4.21 -5.04 2 3 0 44 193.294 3 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanamine (1R)-1-[1-(cyclopentylmethyl)pyr…

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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 4.54 -43.54 3 3 1 45 194.302 3 ↓
Hi High (pH 8-9.5) -0.04 4.21 -5.29 2 3 0 44 193.294 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]propan-1-amine (1S)-1-[1-(cyclopentylmethyl)pyr…

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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) 0.46 5.35 -43.14 3 3 1 45 208.329 4 ↓
Hi High (pH 8-9.5) 0.46 5.02 -5.08 2 3 0 44 207.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]propan-1-amine (1R)-1-[1-(cyclopentylmethyl)pyr…

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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) 0.46 5.35 -43.07 3 3 1 45 208.329 4 ↓
Hi High (pH 8-9.5) 0.46 5.03 -4.41 2 3 0 44 207.321 4 ↓

Analogs

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

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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) 3.29 8.14 -37.16 2 3 1 34 264.437 5 ↓
Hi High (pH 8-9.5) 3.29 6.94 -4.9 1 3 0 30 263.429 5 ↓

Analogs

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

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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 8.65 -41.31 2 3 1 34 264.437 6 ↓

Analogs

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

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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 6.34 -40.39 2 4 1 44 266.409 7 ↓
Hi High (pH 8-9.5) 2.08 4.91 -6.78 1 4 0 39 265.401 7 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-methyl-ethanamine (1R)-1-[1-(cyclopentylmethyl)-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) 2.66 6.99 -38.49 2 3 1 34 236.383 4 ↓
Hi High (pH 8-9.5) 2.66 5.82 -6.17 1 3 0 30 235.375 4 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-methyl-ethanamine (1S)-1-[1-(cyclopentylmethyl)-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) 2.66 6.97 -40.8 2 3 1 34 236.383 4 ↓
Hi High (pH 8-9.5) 2.66 6.36 -5.09 1 3 0 30 235.375 4 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-ethanamine (1S)-1-[1-(cyclopentylmethyl)-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) 3.04 8.15 -36.53 2 3 1 34 250.41 5 ↓
Hi High (pH 8-9.5) 3.04 7.06 -5.53 1 3 0 30 249.402 5 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-ethanamine (1R)-1-[1-(cyclopentylmethyl)-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) 3.04 8.13 -36.23 2 3 1 34 250.41 5 ↓
Hi High (pH 8-9.5) 3.04 7.6 -4.58 1 3 0 30 249.402 5 ↓

Analogs

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

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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) 3.54 8.91 -37.12 2 3 1 34 264.437 6 ↓
Hi High (pH 8-9.5) 3.54 7.82 -5.43 1 3 0 30 263.429 6 ↓

Analogs

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

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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) 3.54 8.89 -36.86 2 3 1 34 264.437 6 ↓
Hi High (pH 8-9.5) 3.54 8.36 -4.47 1 3 0 30 263.429 6 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-methyl-propan-1-amine (1S)-1-[1-(cyclopentylmethyl)-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) 2.26 8.1 -37.16 2 3 1 34 250.41 5 ↓
Hi High (pH 8-9.5) 2.26 6.94 -4.45 1 3 0 30 249.402 5 ↓
Lo Low (pH 4.5-6) 2.26 7.84 -93.39 3 3 2 36 251.418 5 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-methyl-propan-1-amine (1R)-1-[1-(cyclopentylmethyl)-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) 2.26 8.1 -36.98 2 3 1 34 250.41 5 ↓
Hi High (pH 8-9.5) 2.26 7.63 -5.47 1 3 0 30 249.402 5 ↓
Lo Low (pH 4.5-6) 2.26 7.84 -92.71 3 3 2 36 251.418 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-propan-1-amine (1S)-1-[1-(cyclopentylmethyl)-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) 2.63 8.94 -35.45 2 3 1 34 264.437 6 ↓
Hi High (pH 8-9.5) 2.63 7.85 -4.21 1 3 0 30 263.429 6 ↓
Lo Low (pH 4.5-6) 2.63 8.67 -92.69 3 3 2 36 265.445 6 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-propan-1-amine (1R)-1-[1-(cyclopentylmethyl)-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) 2.63 8.92 -35.5 2 3 1 34 264.437 6 ↓
Hi High (pH 8-9.5) 2.63 8.52 -5.24 1 3 0 30 263.429 6 ↓
Lo Low (pH 4.5-6) 2.63 8.66 -92.02 3 3 2 36 265.445 6 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-propyl-propan-1-amine (1S)-1-[1-(cyclopentylmethyl)-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) 3.14 9.7 -36.02 2 3 1 34 278.464 7 ↓
Lo Low (pH 4.5-6) 3.14 9.43 -94.18 3 3 2 36 279.472 7 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-propyl-propan-1-amine (1R)-1-[1-(cyclopentylmethyl)-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) 3.14 9.71 -35.99 2 3 1 34 278.464 7 ↓
Lo Low (pH 4.5-6) 3.14 9.45 -93.72 3 3 2 36 279.472 7 ↓

Analogs

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Popular Name: 1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methyl-methanamine 1-[1-(cyclopentylmethyl)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) 1.66 5.75 -40.46 2 3 1 34 194.302 4 ↓
Hi High (pH 8-9.5) 1.66 4.31 -4.55 1 3 0 30 193.294 4 ↓

Analogs

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Popular Name: N-[[1-(cyclopentylmethyl)pyrazol-4-yl]methyl]ethanamine N-[[1-(cyclopentylmethyl)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) 2.03 6.61 -39.71 2 3 1 34 208.329 5 ↓
Hi High (pH 8-9.5) 2.03 5.24 -4.35 1 3 0 30 207.321 5 ↓

Analogs

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Popular Name: N-[[1-(cyclopentylmethyl)pyrazol-4-yl]methyl]propan-1-amine N-[[1-(cyclopentylmethyl)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) 2.54 7.36 -40.57 2 3 1 34 222.356 6 ↓
Hi High (pH 8-9.5) 2.54 6.01 -4.26 1 3 0 30 221.348 6 ↓

Analogs

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Popular Name: N-[[1-(cyclopentylmethyl)pyrazol-4-yl]methyl]propan-2-amine N-[[1-(cyclopentylmethyl)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) 2.33 7.14 -38.45 2 3 1 34 222.356 5 ↓
Hi High (pH 8-9.5) 2.33 5.94 -4.21 1 3 0 30 221.348 5 ↓

Analogs

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Popular Name: N-[[1-(cyclopentylmethyl)pyrazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-(cyclopentylmethyl)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) 2.84 7.57 -36.81 2 3 1 34 236.383 5 ↓
Hi High (pH 8-9.5) 2.84 6.32 -4.04 1 3 0 30 235.375 5 ↓

Analogs

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Popular Name: N-[[1-(cyclopentylmethyl)pyrazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-(cyclopentylmethyl)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) 2.78 8.06 -40.52 2 3 1 34 236.383 6 ↓

Analogs

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Popular Name: N-[[1-(cyclopentylmethyl)pyrazol-4-yl]methyl]-2-methoxy-ethanamine N-[[1-(cyclopentylmethyl)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) 1.64 5.75 -40.51 2 4 1 44 238.355 7 ↓
Hi High (pH 8-9.5) 1.64 4.4 -5.59 1 4 0 39 237.347 7 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methyl-ethanamine (1S)-1-[1-(cyclopentylmethyl)pyr…

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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 6.28 -38.62 2 3 1 34 208.329 4 ↓
Hi High (pH 8-9.5) 2.21 5 -4.43 1 3 0 30 207.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methyl-ethanamine (1R)-1-[1-(cyclopentylmethyl)pyr…

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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 6.29 -38.52 2 3 1 34 208.329 4 ↓
Hi High (pH 8-9.5) 2.21 5.05 -5.03 1 3 0 30 207.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-ethyl-ethanamine (1S)-1-[1-(cyclopentylmethyl)pyr…

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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) 2.59 7.13 -37.44 2 3 1 34 222.356 5 ↓
Hi High (pH 8-9.5) 2.59 5.98 -4.73 1 3 0 30 221.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-ethyl-ethanamine (1R)-1-[1-(cyclopentylmethyl)pyr…

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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) 2.59 7.14 -37.42 2 3 1 34 222.356 5 ↓
Hi High (pH 8-9.5) 2.59 5.92 -4.16 1 3 0 30 221.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethyl]propan-1-amine N-[(1S)-1-[1-(cyclopentylmethyl)…

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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) 3.09 7.89 -38.19 2 3 1 34 236.383 6 ↓
Hi High (pH 8-9.5) 3.09 6.73 -4.6 1 3 0 30 235.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethyl]propan-1-amine N-[(1R)-1-[1-(cyclopentylmethyl)…

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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) 3.09 7.89 -38.18 2 3 1 34 236.383 6 ↓
Hi High (pH 8-9.5) 3.09 6.68 -4.04 1 3 0 30 235.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methyl-propan-1-amine (1S)-1-[1-(cyclopentylmethyl)pyr…

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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) 1.82 7.05 -38.1 2 3 1 34 222.356 5 ↓
Hi High (pH 8-9.5) 1.82 5.95 -4.26 1 3 0 30 221.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-methyl-propan-1-amine (1R)-1-[1-(cyclopentylmethyl)pyr…

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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) 1.82 7.06 -38.03 2 3 1 34 222.356 5 ↓
Hi High (pH 8-9.5) 1.82 5.87 -4.77 1 3 0 30 221.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-ethyl-propan-1-amine (1S)-1-[1-(cyclopentylmethyl)pyr…

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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) 2.19 7.9 -36.68 2 3 1 34 236.383 6 ↓
Hi High (pH 8-9.5) 2.19 6.53 -4.03 1 3 0 30 235.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-ethyl-propan-1-amine (1R)-1-[1-(cyclopentylmethyl)pyr…

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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) 2.19 7.89 -36.65 2 3 1 34 236.383 6 ↓
Hi High (pH 8-9.5) 2.19 6.58 -4.56 1 3 0 30 235.375 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propyl-propan-1-amine (1S)-1-[1-(cyclopentylmethyl)pyr…

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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) 2.69 8.66 -37.5 2 3 1 34 250.41 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propyl-propan-1-amine (1R)-1-[1-(cyclopentylmethyl)pyr…

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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) 2.69 8.65 -37.36 2 3 1 34 250.41 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]ethanol (1R)-1-[1-(cyclopentylmethyl)-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) 2.10 4.85 -7.15 1 3 0 38 222.332 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-(cyclopentylmethyl)-3,5-dimethyl-pyrazol-4-yl]ethanol (1S)-1-[1-(cyclopentylmethyl)-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) 2.10 4.81 -7.61 1 3 0 38 222.332 3 ↓

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Structural Results Found: (before additional filtering)

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