UCSF

ZINC00150146

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile 5-amino-1-(3-chlorophenyl)-1H-py…

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CAS Number: 51516-68-8

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) 1.82 5.6 -7.02 2 4 0 68 218.647 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 183-187? Alfa-Aesar
Melting_Point 183-187° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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