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

C16H12ClFN2O — CID 135427918

IUPAC2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol
SMILESCc1ccc(-n2nccc2-c2ccc(F)cc2O)cc1Cl
InChIInChI=1S/C16H12ClFN2O/c1-10-2-4-12(9-14(10)17)20-15(6-7-19-20)13-5-3-11(18)8-16(13)21/h2-9,21H,1H3
InChIKeyLTHYBLYRHBZEAS-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.35
Rot. Bonds2

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

2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol (PubChem CID 135427918) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol
PubChem CID135427918
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol
SMILESCc1ccc(-n2nccc2-c2ccc(F)cc2O)cc1Cl
InChIInChI=1S/C16H12ClFN2O/c1-10-2-4-12(9-14(10)17)20-15(6-7-19-20)13-5-3-11(18)8-16(13)21/h2-9,21H,1H3
InChIKeyLTHYBLYRHBZEAS-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-fluoro-2-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804882
2-[(Z)-C-[1-(3,4-difluorophenyl)pyrazol-4-yl]-N-hydroxycarbonimidoyl]-4-fluorophenol
CID 136199934
2-[(Z)-C-[1-(3,4-difluorophenyl)pyrazol-4-yl]-N-hydroxycarbonimidoyl]phenol
CID 136199936
4-chloro-2-[(Z)-C-[1-(3,4-difluorophenyl)pyrazol-4-yl]-N-hydroxycarbonimidoyl]phenol
CID 136199938
2-(1-Phenylpyrazol-3-yl)-4-propylphenol
CID 155529835
2-[2-(2-Fluorophenyl)pyrazol-3-yl]phenol
CID 135465517
5-(5-(4-Amino-2-chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234013
5-(5-(2-Chlorophenyl)-1H-indazol-1-yl)-2-fluorophenol
CID 163234162
1-(3-Chloro-4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-methanol
CID 3679816
(1-(3-Chloro-4-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-YL)methanol
CID 3840468

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol?
The IUPAC name of 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol (CID 135427918) is 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol.
What is the SMILES notation for 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol?
The canonical SMILES for 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol is Cc1ccc(-n2nccc2-c2ccc(F)cc2O)cc1Cl.
What is the InChIKey of 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol?
The InChIKey is LTHYBLYRHBZEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-10-2-4-12(9-14(10)17)20-15(6-7-19-20)13-5-3-11(18)8-16(13)21/h2-9,21H,1H3.
What are the key properties of 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol?
2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol has a molecular weight of 302.74 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-methylphenyl)pyrazol-3-yl]-5-fluorophenol is sourced from PubChem (CID 135427918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).