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

C15H10ClFN2O — CID 135461183

IUPAC2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol
SMILESOc1cc(F)ccc1-c1ccnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O/c16-10-1-4-12(5-2-10)19-14(7-8-18-19)13-6-3-11(17)9-15(13)20/h1-9,20H
InChIKeyBSESSSOJSOJMBQ-UHFFFAOYSA-N
MW288.71 g/mol
LogP4.04
Rot. Bonds2

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

2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol (PubChem CID 135461183) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol
PubChem CID135461183
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol
SMILESOc1cc(F)ccc1-c1ccnn1-c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O/c16-10-1-4-12(5-2-10)19-14(7-8-18-19)13-6-3-11(17)9-15(13)20/h1-9,20H
InChIKeyBSESSSOJSOJMBQ-UHFFFAOYSA-N
XLogP4.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-6-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804779
4-[(5S)-1-(4-fluorophenyl)spiro[4H-indazole-5,6'-cyclohexene]-1'-yl]phenol
CID 155548288
4-[2-(2-Fluorophenyl)pyrazol-3-yl]-6-iodobenzene-1,3-diol
CID 136367089
4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
5-(5-Chloro-2-hydroxy-4-methylphenyl)-1-phenylpyrazole
CID 854141
2-[1-[(4-Chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol
CID 1256491
(1-(4-Chlorophenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
CID 3490838
2-(1-Methyl-1H-Pyrazol-5-Yl)Phenol
CID 2804778
4-fluoro-2-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804882
2,4-difluoro-6-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804884
2-(1-Tert-butylpyrazol-3-yl)-4,6-difluorophenol
CID 2806216
2-[1-Phenyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 4036145

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol (CID 135461183) is 2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol is Oc1cc(F)ccc1-c1ccnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol?
The InChIKey is BSESSSOJSOJMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-10-1-4-12(5-2-10)19-14(7-8-18-19)13-6-3-11(17)9-15(13)20/h1-9,20H.
What are the key properties of 2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol?
2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol has a molecular weight of 288.71 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)pyrazol-3-yl]-5-fluorophenol is sourced from PubChem (CID 135461183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).