In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 21st, 2009 | 17 | Yes |
Popular Name: N-(3-diethylaminopropyl)-1-methyl-pyrazole-4-carboxamide N-(3-diethylaminopropyl)-1-methy…
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) | 0.56 | 4.96 | -44.91 | 2 | 5 | 1 | 51 | 239.343 | 7 | ↓ |
Popular Name: N-(3-aminopropyl)-N-ethyl-1-methyl-pyrazole-4-carboxamide N-(3-aminopropyl)-N-ethyl-1-meth…
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) | -1.27 | 2.02 | -48.84 | 3 | 5 | 1 | 66 | 211.289 | 5 | ↓ |
Popular Name: N-(3-aminopropyl)-1-methyl-N-propyl-pyrazole-4-carboxamide N-(3-aminopropyl)-1-methyl-N-pro…
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) | -0.76 | 2.75 | -48.69 | 3 | 5 | 1 | 66 | 225.316 | 6 | ↓ |
Popular Name: N-[(3Z)-3-amino-3-hydroxyimino-propyl]-N-ethyl-1-methyl-pyrazole-4-carboxamide N-[(3Z)-3-amino-3-hydroxyimino-p…
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 | 0.85 | -13.25 | 3 | 7 | 0 | 97 | 239.279 | 5 | ↓ |
Popular Name: N-[(2S)-3-amino-2-methyl-propyl]-N,1-dimethyl-pyrazole-4-carboxamide N-[(2S)-3-amino-2-methyl-propyl]…
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 | 1.8 | -50.43 | 3 | 5 | 1 | 66 | 211.289 | 4 | ↓ |
Popular Name: N-[(2R)-3-amino-2-methyl-propyl]-N,1-dimethyl-pyrazole-4-carboxamide N-[(2R)-3-amino-2-methyl-propyl]…
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 | 1.78 | -48.01 | 3 | 5 | 1 | 66 | 211.289 | 4 | ↓ |
Popular Name: N-(3-aminopropyl)-N-isobutyl-1-methyl-pyrazole-4-carboxamide N-(3-aminopropyl)-N-isobutyl-1-m…
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) | -0.52 | 3.31 | -55.34 | 3 | 5 | 1 | 66 | 239.343 | 6 | ↓ |
Popular Name: N-[3-[acetyl(ethyl)amino]propyl]-1-methyl-pyrazole-4-carboxamide N-[3-[acetyl(ethyl)amino]propyl]…
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 | 3.46 | -16.04 | 1 | 6 | 0 | 67 | 252.318 | 6 | ↓ |
Popular Name: N-(3-dimethylaminopropyl)-1-methyl-pyrazole-4-carboxamide N-(3-dimethylaminopropyl)-1-meth…
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) | -0.19 | 3.51 | -47.09 | 2 | 5 | 1 | 51 | 211.289 | 5 | ↓ |