UCSF

ZINC18158601

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 18 No

Popular Name: 2,5-Diphenyl-2H-pyrazol-3-ol 2,5-Diphenyl-2H-pyrazol-3-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114138-49-7 , 4845-49-2

Download: MOL2 SDF SMILES Flexibase

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 7.91 -12.6 1 3 0 38 236.274 2 ↓
Ref Reference (pH 7) 3.00 8.17 -10.06 0 3 0 33 236.274 2 ↓
Mid Mid (pH 6-8) 3.24 6 -8.71 1 3 0 38 236.274 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 122 - 125 KeyOrganics
MP 138 - 140 Enamine Building Blocks
MP 138...140 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0526840A1; EP0526840B1 IBM Patent Data

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Analogs ( Draw Identity 99% 90% 80% 70% )