UCSF

ZINC01088697

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 10 Yes

Popular Name: 1,5-Dimethyl-1H-pyrazole-4-carboxylic acid 1,5-Dimethyl-1H-pyrazole-4-carbo…

Find On: PubMed — Wikipedia — Google

CAS Number: 31728-75-3

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) 0.11 2.33 -51.33 0 4 -1 58 139.134 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 169 - 171 Enamine Building Blocks
MP 169...171 Enamine Building Blocks
MP 186° Matrix Scientific
MP 189 - 191 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0695748A1; EP0695748B1; US5589439 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.