UCSF

ZINC04503354

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 12 Yes

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

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CAS Numbers: 78208-41-8 , 78208-73-8 , [78208-73-8]

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) 1.48 3.77 -44.03 0 4 -1 58 167.188 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 158 - 160 Enamine Building Blocks
MP 158...160 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% )