UCSF

ZINC04218282

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 No

Popular Name: 1-Benzyl-1H-pyrazole-4-carbaldehyde 1-Benzyl-1H-pyrazole-4-carbaldehyde

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CAS Numbers: 54605-72-0 , 63874-95-3 , [63874-95-3]

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) 1.70 5.91 -8.86 0 3 0 35 186.214 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 43 - 45 Enamine Building Blocks
MP 43...45 Enamine Building Blocks
Melting_Point 84-88? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )