In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 19 | Yes |
Popular Name: 2-bromo-4-{[(1-ethyl-1H-pyrazol-4-yl)amino]methyl}-6-methoxyphenol hydrochloride 2-bromo-4-{[(1-ethyl-1H-pyrazol-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1153209-89-2 , 1210340-78-5
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) | 2.25 | 3.58 | -8.68 | 2 | 5 | 0 | 59 | 326.194 | 5 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 158 - 160 | Enamine Building Blocks |
MP | 158...160 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Popular Name: 2-[4-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylamino]pyrazol-1-yl]acetamide 2-[4-[(3-bromo-4-hydroxy-5-metho…
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 | -0.19 | -17.72 | 4 | 7 | 0 | 102 | 355.192 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.61 | 0.73 | -54.62 | 3 | 7 | -1 | 105 | 354.184 | 6 | ↓ |
Popular Name: 2-[4-[(7-bromo-1,3-benzodioxol-5-yl)methylamino]pyrazol-1-yl]acetamide 2-[4-[(7-bromo-1,3-benzodioxol-5…
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) | 0.93 | 1.32 | -17.44 | 3 | 7 | 0 | 91 | 353.176 | 5 | ↓ |
Popular Name: 2-bromo-6-methoxy-4-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol 2-bromo-6-methoxy-4-[[[1-(2-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) | 1.86 | 2.61 | -8.7 | 2 | 6 | 0 | 69 | 356.22 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.86 | 3.53 | -44.75 | 1 | 6 | -1 | 71 | 355.212 | 7 | ↓ |
Popular Name: N-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine N-[(7-bromo-1,3-benzodioxol-5-yl…
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) | 2.18 | 4.12 | -8.48 | 1 | 6 | 0 | 58 | 354.204 | 6 | ↓ |