UCSF

ZINC00120520

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 11 Yes

Popular Name: 1-ethyl-3-methyl-1H-pyrazole-5-carboxylic acid 1-ethyl-3-methyl-1H-pyrazole-5-c…

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CAS Numbers: 50920-65-5 , [50920-65-5]

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) 0.80 3.36 -44.45 0 4 -1 58 153.161 2 ↓
Hi High (pH 8-9.5) 0.45 3.98 -93.2 7 8 2 126 391.479 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 137-140? Alfa-Aesar
Melting_Point 137-140° Alfa-Aesar
MP 143 - 145 Enamine Building Blocks
MP 143...145 Enamine Building Blocks
Purity 85-90% Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.