UCSF

ZINC22996533

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 19 Yes

Popular Name: 1-(4-isopropylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid 1-(4-isopropylphenyl)-3,5-dimeth…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1171764-30-9 , N/A

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) 3.12 8.23 -53.07 0 4 -1 58 257.313 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 174 - 177 KeyOrganics
MP 174-177° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Rings

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