2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid

C18H15ClN2O2 — CID 20542672

IUPAC2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
SMILESCc1ccc(-n2cc(CC(=O)O)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12-2-8-16(9-3-12)21-11-14(10-17(22)23)18(20-21)13-4-6-15(19)7-5-13/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyXCOIAXIWSXWKRL-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.13
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid

2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid (PubChem CID 20542672) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
PubChem CID20542672
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
SMILESCc1ccc(-n2cc(CC(=O)O)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H15ClN2O2/c1-12-2-8-16(9-3-12)21-11-14(10-17(22)23)18(20-21)13-4-6-15(19)7-5-13/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyXCOIAXIWSXWKRL-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid 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

3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950
CID 67048003
CID 67048003
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetonitrile
CID 20542746
3-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]propanoic acid
CID 91871978
3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871979
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbut-2-enamide
CID 39736625
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid (CID 20542672) is 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid is Cc1ccc(-n2cc(CC(=O)O)c(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
The InChIKey is XCOIAXIWSXWKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-2-8-16(9-3-12)21-11-14(10-17(22)23)18(20-21)13-4-6-15(19)7-5-13/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid?
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid has a molecular weight of 326.78 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 20542672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).