UCSF

ZINC17946022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 7 Yes

Popular Name: 4-Chloro-3-methyl-1H-pyrazole 4-Chloro-3-methyl-1H-pyrazole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1092682-87-5 , 15878-08-7 , [15878-08-7]

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) 1.15 2.06 -4.81 1 2 0 29 116.551 0 ↓
Ref Reference (pH 7) 1.15 2.03 -4.25 1 2 0 29 116.551 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 64 - 66 Enamine Building Blocks
MP 64...66 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0166419A2; EP0166419B1; EP0166420A2; EP0166420B1; EP0166421A2; EP0166421B1; EP0371361A1; EP0371361B1; EP0808297A1; EP0808297B1; EP0917526A2; US4522642; US4523940; US4545803; US5047551; US5972064; US6139596; WO1999058594A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.