UCSF

ZINC00050032

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 5-Amino-1-benzyl-3-methyl-1H-pyrazole-4-carbonitrile 5-Amino-1-benzyl-3-methyl-1H-pyr…

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CAS Number: 168465-06-3

Other Names:

MFCD00502755

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) 1.49 6.02 -8.71 2 4 0 68 212.256 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 310 - 312 MolMall (formerly Molecular Diversity Preservation International)
mp 77 - 78 MolMall (formerly Molecular Diversity Preservation International)

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