3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol

C15H9ClF2N2O — CID 142705282

IUPAC3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol
SMILESOc1cc(F)cc(-c2ccnn2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H9ClF2N2O/c16-13-8-11(1-2-14(13)18)20-15(3-4-19-20)9-5-10(17)7-12(21)6-9/h1-8,21H
InChIKeyUSPNJBRUKSBZHF-UHFFFAOYSA-N
MW306.70 g/mol
LogP4.18
Rot. Bonds2

About 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol

3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol (PubChem CID 142705282) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol
PubChem CID142705282
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol
SMILESOc1cc(F)cc(-c2ccnn2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H9ClF2N2O/c16-13-8-11(1-2-14(13)18)20-15(3-4-19-20)9-5-10(17)7-12(21)6-9/h1-8,21H
InChIKeyUSPNJBRUKSBZHF-UHFFFAOYSA-N
XLogP4.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5S)-1-(4-fluorophenyl)spiro[4H-indazole-5,6'-cyclohexene]-1'-yl]phenol
CID 155548288
5-(5-Chloro-2-hydroxy-4-methylphenyl)-1-phenylpyrazole
CID 854141
2-(3-Chloro-4-hydroxyphenyl)indazol-5-ol
CID 11184545
4-chloro-2-[(Z)-C-[1-(3,4-difluorophenyl)pyrazol-4-yl]-N-hydroxycarbonimidoyl]phenol
CID 136199938
2-[2-(2-Fluorophenyl)pyrazol-3-yl]phenol
CID 135465517
5-(5-Chloro-2-hydroxyphenyl)-1-phenylpyrazole acetate
CID 135705191
3-[[[1-(3-Chlorophenyl)pyrazol-3-yl]methylamino]methyl]phenol
CID 177924103
(5-Chloro-2-hydroxy-phenyl)-[1-(3,4-difluorophenyl)pyrazol-4-yl]methanone oxime
CID 135908109
4-chloro-2-(1-phenyl-1H-pyrazol-5-yl)phenol
CID 4460494
4-[5-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 11427745
3-Chloro-2-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydroindazole
CID 18981048
3-[3-(4-Fluorophenyl)pyrazol-1-yl]phenol
CID 57156836

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol?
The IUPAC name of 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol (CID 142705282) is 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol.
What is the SMILES notation for 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol?
The canonical SMILES for 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol is Oc1cc(F)cc(-c2ccnn2-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol?
The InChIKey is USPNJBRUKSBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c16-13-8-11(1-2-14(13)18)20-15(3-4-19-20)9-5-10(17)7-12(21)6-9/h1-8,21H.
What are the key properties of 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol?
3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol has a molecular weight of 306.70 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-5-fluorophenol is sourced from PubChem (CID 142705282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).