UCSF

ZINC00167632

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 Yes

Popular Name: 5-amino-1-(tert-butyl)-3-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile 5-amino-1-(tert-butyl)-3-(4-fluo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 320422-34-2 , [320422-34-2]

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) 2.70 2.69 -8.02 2 4 0 67 258.3 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 114 - 116 KeyOrganics
MP 114-116° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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