UCSF

ZINC32912498

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 12 Yes

Popular Name: 1-methyl-3-(propan-2-yl)-1H-pyrazole-4-carboxylic acid 1-methyl-3-(propan-2-yl)-1H-pyra…

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CAS Number: 113100-52-0

Other Names:

MFCD11180212

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) 1.17 3.73 -50.93 0 4 -1 58 167.188 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 156 - 158 Enamine Building Blocks
MP 156...158 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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