UCSF

ZINC19722105

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 9 Yes

Popular Name: Methyl 1H-pyrazole-4-carboxylate Methyl 1H-pyrazole-4-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 181997-36-4 , 51105-90-9 , [51105-90-9]

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) 0.08 1.65 -9.31 1 4 0 55 126.115 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0476659A1; EP0554778B1; US5235058; US5272049; US5415988; US5464731; US5514532 IBM Patent Data
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.