2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol

C15H10ClFN2O — CID 135980482

IUPAC2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol
SMILESOc1c(Cl)cccc1C1=NN=C(c2ccc(F)cc2)C1
InChIInChI=1S/C15H10ClFN2O/c16-12-3-1-2-11(15(12)20)14-8-13(18-19-14)9-4-6-10(17)7-5-9/h1-7,20H,8H2
InChIKeyYGGASWZINLFWOE-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.78
Rot. Bonds2

About 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol

2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol (PubChem CID 135980482) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol
PubChem CID135980482
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol
SMILESOc1c(Cl)cccc1C1=NN=C(c2ccc(F)cc2)C1
InChIInChI=1S/C15H10ClFN2O/c16-12-3-1-2-11(15(12)20)14-8-13(18-19-14)9-4-6-10(17)7-5-9/h1-7,20H,8H2
InChIKeyYGGASWZINLFWOE-UHFFFAOYSA-N
XLogP3.78
TPSA44.95 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135931715
2-chloro-6-[5-(4-chlorophenyl)-4H-pyrazol-3-yl]phenol
CID 135980484
6-Benzyl-2-chlorophenol
CID 3016021
2-[(E)-[3-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-ylidene]methyl]phenol
CID 136254192
4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136961612
Methanone, (3-chloro-2-hydroxy-5-nonylphenyl)phenyl-, oxime, (1Z)-
CID 135686405
Methanone, (3-chloro-2-hydroxy-5-nonylphenyl)phenyl-, oxime, (1E)-
CID 135764824
2-Hydroxy-3-chloro-5-nonyl-benzophenone oxime
CID 108868
2-Chloro-6-(2-fluorophenyl)phenol
CID 66847546
2-chloro-4-fluoro-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 138518893
6-Chloro-3-fluoro-2-phenylphenol
CID 141158817
2-Chloro-4-fluoro-6-(2-fluorophenyl)phenol
CID 175073556

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol?
The IUPAC name of 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol (CID 135980482) is 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol is Oc1c(Cl)cccc1C1=NN=C(c2ccc(F)cc2)C1.
What is the InChIKey of 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol?
The InChIKey is YGGASWZINLFWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c16-12-3-1-2-11(15(12)20)14-8-13(18-19-14)9-4-6-10(17)7-5-9/h1-7,20H,8H2.
What are the key properties of 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol?
2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol has a molecular weight of 288.71 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol is sourced from PubChem (CID 135980482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).