UCSF

ZINC00170835

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Substance Information

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

Popular Name: 5-(3-Trifluoromethylphenyl)-2H-pyrazol-3-ylamine 5-(3-Trifluoromethylphenyl)-2H-p…

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CAS Numbers: 209224-91-9 , [209224-91-9]

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) 2.47 4.35 -8.43 3 3 0 55 227.189 2 ↓
Ref Reference (pH 7) 2.16 4.89 -40.16 3 3 1 52 228.197 2 ↓
Mid Mid (pH 6-8) 2.47 4.33 -7.26 3 3 0 55 227.189 2 ↓
Lo Low (pH 4.5-6) 2.47 4.45 -35.29 4 3 1 56 228.197 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 132 KeyOrganics
MP 130-132° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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