UCSF

ZINC18217709

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2008 12 Yes

Popular Name: 3-(4-Fluorophenyl)-1H-pyrazole 3-(4-Fluorophenyl)-1H-pyrazole

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CAS Numbers: 1185742-22-6 , 154258-82-9 , [1185742-22-6] , [154258-82-9]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.16 4.55 -5.56 1 2 0 29 162.167 1 ↓
Mid Mid (pH 6-8) 2.16 4.6 -6.89 1 2 0 29 162.167 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 100-102° Matrix Scientific
Melting_Point 101-103? Alfa-Aesar
Melting_Point 101-103° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
MP 96 - 98 Enamine Building Blocks
MP 96...98 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000031063A1 IBM Patent Data

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

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