UCSF

ZINC08700407

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 17 Yes

Popular Name: Ethyl 5-methyl-1-phenylpyrazole-3-carboxylate Ethyl 5-methyl-1-phenylpyrazole-…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 81153-64-2 , [81153-64-2]

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) 2.33 2.8 -9.79 0 4 0 44 230.267 4 ↓

Vendor Notes

Note Type Comments Provided By
BP 128-130/2.3mm Fluorochem
BP 351° Matrix Scientific
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.