UCSF

ZINC13479954

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 12 Yes

Popular Name: 3-(1H-pyrazol-1-yl)aniline 3-(1H-pyrazol-1-yl)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1185293-09-7 , 184097-88-9 , [1185293-09-7] , [184097-88-9]

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) 0.93 3.56 -7.85 2 3 0 44 159.192 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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