UCSF

ZINC03883869

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 16 Yes

Popular Name: 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carbonitrile 5-amino-1-(4-methoxyphenyl)-1H-p…

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CAS Numbers: 116884-64-1 , [116884-64-1]

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) 1.01 4.37 -8.57 2 5 0 77 214.228 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 125 - 128 KeyOrganics
MP 125-128° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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