UCSF

ZINC32302997

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 10 Yes

Popular Name: 3,4-Dimethyl-1H-pyrazole-5-carboxylic acid 3,4-Dimethyl-1H-pyrazole-5-carbo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 89831-40-3 , [89831-40-3]

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) 0.73 2.68 -42.77 1 4 -1 69 139.134 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 288 - 290 Enamine Building Blocks
MP 288...290 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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