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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: 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) 1.69 8.28 -18.98 1 6 0 73 311.407 9 ↓

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) 1.69 8.18 -19.31 1 6 0 73 311.407 9 ↓

Analogs

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Popular Name: 3-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]propan-1-ol 3-[1-[(1S)-1-cyclopropylethyl]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) 1.61 4.07 -7.01 1 3 0 38 194.278 5 ↓

Analogs

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Popular Name: 3-[1-[(1R)-1-cyclopropylethyl]pyrazol-4-yl]propan-1-ol 3-[1-[(1R)-1-cyclopropylethyl]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) 1.61 3.99 -7.31 1 3 0 38 194.278 5 ↓

Analogs

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Popular Name: 4-(3-chloropropyl)-1-[(1S)-1-cyclopropylethyl]pyrazole 4-(3-chloropropyl)-1-[(1S)-1-cyc…

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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) 2.85 8.03 -5.78 0 2 0 18 212.724 5 ↓

Analogs

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Popular Name: 4-(3-chloropropyl)-1-[(1R)-1-cyclopropylethyl]pyrazole 4-(3-chloropropyl)-1-[(1R)-1-cyc…

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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) 2.85 7.95 -6.12 0 2 0 18 212.724 5 ↓

Analogs

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Popular Name: 4-(3-bromopropyl)-1-[(1S)-1-cyclopropylethyl]pyrazole 4-(3-bromopropyl)-1-[(1S)-1-cycl…

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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) 2.98 8.15 -5.65 0 2 0 18 257.175 5 ↓

Analogs

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Popular Name: 4-(3-bromopropyl)-1-[(1R)-1-cyclopropylethyl]pyrazole 4-(3-bromopropyl)-1-[(1R)-1-cycl…

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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) 2.98 8.07 -5.91 0 2 0 18 257.175 5 ↓

Analogs

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Popular Name: 3-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]propan-1-amine 3-[1-[(1S)-1-cyclopropylethyl]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) 1.05 4.79 -45.43 3 3 1 45 194.302 5 ↓

Analogs

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Popular Name: 3-[1-[(1R)-1-cyclopropylethyl]pyrazol-4-yl]propan-1-amine 3-[1-[(1R)-1-cyclopropylethyl]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) 1.05 4.71 -45.62 3 3 1 45 194.302 5 ↓

Analogs

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Popular Name: 3-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-N-methyl-propan-1-amine 3-[1-[(1S)-1-cyclopropylethyl]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) 2.03 6.67 -40.85 2 3 1 34 208.329 6 ↓

Analogs

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Popular Name: 3-[1-[(1R)-1-cyclopropylethyl]pyrazol-4-yl]-N-methyl-propan-1-amine 3-[1-[(1R)-1-cyclopropylethyl]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) 2.03 6.58 -40.95 2 3 1 34 208.329 6 ↓

Analogs

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Popular Name: 3-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-N-ethyl-propan-1-amine 3-[1-[(1S)-1-cyclopropylethyl]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) 2.06 7.52 -40.19 2 3 1 34 222.356 7 ↓

Analogs

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Popular Name: 3-[1-[(1R)-1-cyclopropylethyl]pyrazol-4-yl]-N-ethyl-propan-1-amine 3-[1-[(1R)-1-cyclopropylethyl]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) 2.06 7.43 -40.34 2 3 1 34 222.356 7 ↓

Analogs

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Popular Name: 3-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-N-propyl-propan-1-amine 3-[1-[(1S)-1-cyclopropylethyl]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) 2.56 8.27 -41.1 2 3 1 34 236.383 8 ↓

Analogs

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Popular Name: 3-[1-[(1R)-1-cyclopropylethyl]pyrazol-4-yl]-N-propyl-propan-1-amine 3-[1-[(1R)-1-cyclopropylethyl]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) 2.56 8.18 -41.25 2 3 1 34 236.383 8 ↓

Analogs

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Popular Name: 3-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-N-isopropyl-propan-1-amine 3-[1-[(1S)-1-cyclopropylethyl]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) 2.70 8.04 -39.21 2 3 1 34 236.383 7 ↓

Analogs

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Popular Name: 3-[1-[(1R)-1-cyclopropylethyl]pyrazol-4-yl]-N-isopropyl-propan-1-amine 3-[1-[(1R)-1-cyclopropylethyl]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) 2.70 7.95 -39.39 2 3 1 34 236.383 7 ↓

Analogs

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Popular Name: N-[3-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]propyl]-2-methyl-propan-2-amine N-[3-[1-[(1S)-1-cyclopropylethyl…

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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 8.47 -37.93 2 3 1 34 250.41 7 ↓

Analogs

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Popular Name: N-[3-[1-[(1R)-1-cyclopropylethyl]pyrazol-4-yl]propyl]-2-methyl-propan-2-amine N-[3-[1-[(1R)-1-cyclopropylethyl…

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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 8.37 -38.08 2 3 1 34 250.41 7 ↓

Analogs

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Popular Name: N-[3-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]propyl]-2-methyl-propan-1-amine N-[3-[1-[(1S)-1-cyclopropylethyl…

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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) 2.80 8.95 -41.28 2 3 1 34 250.41 8 ↓

Analogs

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Popular Name: N-[3-[1-[(1R)-1-cyclopropylethyl]pyrazol-4-yl]propyl]-2-methyl-propan-1-amine N-[3-[1-[(1R)-1-cyclopropylethyl…

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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) 2.80 8.87 -41.4 2 3 1 34 250.41 8 ↓

Analogs

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Popular Name: 3-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine 3-[1-[(1S)-1-cyclopropylethyl]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) 1.66 6.65 -40.72 2 4 1 44 252.382 9 ↓

Analogs

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Popular Name: 3-[1-[(1R)-1-cyclopropylethyl]pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine 3-[1-[(1R)-1-cyclopropylethyl]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) 1.66 6.57 -40.89 2 4 1 44 252.382 9 ↓

Analogs

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Popular Name: 1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]ethanone 1-[1-(cyclopropylmethyl)-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) 1.53 6.33 -9.1 0 3 0 35 192.262 3 ↓

Analogs

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Popular Name: 1-[1-(cyclopropylmethyl)pyrazol-4-yl]ethanone 1-[1-(cyclopropylmethyl)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) 1.08 5.18 -8.11 0 3 0 35 164.208 3 ↓

Analogs

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Popular Name: 1-Cyclopropylmethyl-1H-pyrazole-4-carbaldehyde 1-Cyclopropylmethyl-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) 0.98 4.47 -11.68 0 3 0 35 150.181 3 ↓

Analogs

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Popular Name: 1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-one 1-[1-(cyclopropylmethyl)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) 1.59 6.08 -7.91 0 3 0 35 178.235 4 ↓

Analogs

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Popular Name: 1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-one 1-[1-(cyclopropylmethyl)-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) 2.03 7.16 -9.38 0 3 0 35 206.289 4 ↓

Analogs

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Popular Name: [1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]methanamine [1-(cyclopropylmethyl)-3,5-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) 0.81 3.67 -46.18 3 3 1 45 180.275 3 ↓
Hi High (pH 8-9.5) 0.81 3.27 -5.98 2 3 0 44 179.267 3 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]ethanamine (1R)-1-[1-(cyclopropylmethyl)-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) -0.51 4.43 -43.3 3 3 1 45 194.302 3 ↓
Hi High (pH 8-9.5) -0.51 4.12 -6.02 2 3 0 44 193.294 3 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]ethanamine (1S)-1-[1-(cyclopropylmethyl)-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) -0.51 4.36 -45.32 3 3 1 45 194.302 3 ↓
Hi High (pH 8-9.5) -0.51 4.09 -6.56 2 3 0 44 193.294 3 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-amine (1S)-1-[1-(cyclopropylmethyl)-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) 0.00 5.27 -42.49 3 3 1 45 208.329 4 ↓
Hi High (pH 8-9.5) 0.00 4.96 -5.25 2 3 0 44 207.321 4 ↓
Lo Low (pH 4.5-6) 0.00 5.37 -97 4 3 2 47 209.337 4 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]propan-1-amine (1R)-1-[1-(cyclopropylmethyl)-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) 0.00 5.36 -42.96 3 3 1 45 208.329 4 ↓
Hi High (pH 8-9.5) 0.00 5.05 -6.29 2 3 0 44 207.321 4 ↓
Lo Low (pH 4.5-6) 0.00 5.47 -96.66 4 3 2 47 209.337 4 ↓

Analogs

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Popular Name: C-(1-Cyclopropylmethyl-1H-pyrazol-4-yl)-methylamine C-(1-Cyclopropylmethyl-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) 0.37 2.77 -45.85 3 3 1 45 152.221 3 ↓
Hi High (pH 8-9.5) 0.37 2.37 -6.06 2 3 0 44 151.213 3 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopropylmethyl)pyrazol-4-yl]ethanamine (1S)-1-[1-(cyclopropylmethyl)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) -0.95 3.43 -44.17 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) -0.95 3.1 -5.71 2 3 0 44 165.24 3 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopropylmethyl)pyrazol-4-yl]ethanamine (1R)-1-[1-(cyclopropylmethyl)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) -0.95 3.43 -43.96 3 3 1 45 166.248 3 ↓
Hi High (pH 8-9.5) -0.95 3.1 -5.47 2 3 0 44 165.24 3 ↓

Analogs

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Popular Name: (1S)-1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-amine (1S)-1-[1-(cyclopropylmethyl)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) -0.45 4.24 -43.63 3 3 1 45 180.275 4 ↓
Hi High (pH 8-9.5) -0.45 3.91 -5.51 2 3 0 44 179.267 4 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopropylmethyl)pyrazol-4-yl]propan-1-amine (1R)-1-[1-(cyclopropylmethyl)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) -0.45 4.24 -43.42 3 3 1 45 180.275 4 ↓
Hi High (pH 8-9.5) -0.45 3.92 -4.88 2 3 0 44 179.267 4 ↓

Analogs

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Popular Name: (1-Cyclopropylmethyl-3,5-dimethyl-1H-pyrazol-4-ylmethyl)-methyl-amine (1-Cyclopropylmethyl-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) 1.19 5.54 -40.91 2 3 1 34 194.302 4 ↓
Hi High (pH 8-9.5) 1.19 4.09 -5.77 1 3 0 30 193.294 4 ↓

Analogs

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Popular Name: N-[[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]methyl]ethanamine N-[[1-(cyclopropylmethyl)-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) 1.56 6.46 -40.14 2 3 1 34 208.329 5 ↓
Hi High (pH 8-9.5) 1.56 5.09 -5.32 1 3 0 30 207.321 5 ↓

Analogs

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Popular Name: N-[[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]methyl]propan-1-amine N-[[1-(cyclopropylmethyl)-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) 2.06 7.21 -40.89 2 3 1 34 222.356 6 ↓
Hi High (pH 8-9.5) 2.06 5.86 -5.17 1 3 0 30 221.348 6 ↓

Analogs

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Popular Name: N-[[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]methyl]propan-2-amine N-[[1-(cyclopropylmethyl)-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) 1.86 6.93 -38.36 2 3 1 34 222.356 5 ↓
Hi High (pH 8-9.5) 1.86 5.71 -5.39 1 3 0 30 221.348 5 ↓

Analogs

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Popular Name: N-[[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-methyl-propan-2-amine N-[[1-(cyclopropylmethyl)-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) 2.37 7.34 -36.78 2 3 1 34 236.383 5 ↓
Hi High (pH 8-9.5) 2.37 6.13 -4.99 1 3 0 30 235.375 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-methyl-propan-1-amine N-[[1-(cyclopropylmethyl)-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) 2.31 7.85 -40.69 2 3 1 34 236.383 6 ↓

Analogs

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Popular Name: N-[[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]methyl]-2-methoxy-ethanamine N-[[1-(cyclopropylmethyl)-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) 1.17 5.54 -40.11 2 4 1 44 238.355 7 ↓
Hi High (pH 8-9.5) 1.17 4.11 -7.14 1 4 0 39 237.347 7 ↓

Analogs

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Popular Name: (1R)-1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-methyl-ethanamine (1R)-1-[1-(cyclopropylmethyl)-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) 1.75 6.17 -38.34 2 3 1 34 208.329 4 ↓
Hi High (pH 8-9.5) 1.75 5.01 -6.4 1 3 0 30 207.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-methyl-ethanamine (1S)-1-[1-(cyclopropylmethyl)-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) 1.75 6.15 -40.17 2 3 1 34 208.329 4 ↓
Hi High (pH 8-9.5) 1.75 5.55 -5.4 1 3 0 30 207.321 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-ethanamine (1S)-1-[1-(cyclopropylmethyl)-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) 2.12 7.04 -37.06 2 3 1 34 222.356 5 ↓
Hi High (pH 8-9.5) 2.12 5.95 -5.86 1 3 0 30 221.348 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]-N-ethyl-ethanamine (1R)-1-[1-(cyclopropylmethyl)-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) 2.12 7.02 -37.08 2 3 1 34 222.356 5 ↓
Hi High (pH 8-9.5) 2.12 6.49 -5.13 1 3 0 30 221.348 5 ↓

Parameters Provided:

ring.id = 50180
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 = 50180 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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