UCSF

ZINC00586738

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 No

Popular Name: 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde 1-Benzyl-3,5-dimethyl-1H-pyrazol…

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CAS Numbers: 2644-94-2 , [2644-94-2]

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) 2.14 2.1 -8.78 0 3 0 35 214.268 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 72 - 74 Enamine Building Blocks
MP 72...74 Enamine Building Blocks
MP 73-74° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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