UCSF

ZINC18161725

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 10 Yes

Popular Name: Ethyl 1H-pyrazole-3-carboxylate Ethyl 1H-pyrazole-3-carboxylate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21056-77-9 , 5932-27-4 , [5932-27-4]

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) 0.77 2.57 -9.31 1 4 0 55 140.142 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 159 - 161 Enamine Building Blocks
MP 159...161 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0293220A2; EP0293220B1; EP0347773A1; EP0347773B1; EP0420883A1; EP0420883B1; EP0422051A1; EP0807112A1; US3438992; US5910504; US6124334; WO1995007283A1; WO1996023788A1 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.