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

C13H13ClN2O2 — CID 102547341

IUPAC2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1cc(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C13H13ClN2O2/c1-2-12(13(17)18)16-8-10(7-15-16)9-4-3-5-11(14)6-9/h3-8,12H,2H2,1H3,(H,17,18)
InChIKeyZMLXWSYJZHPCQY-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.24
Rot. Bonds4

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

2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid (PubChem CID 102547341) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid
PubChem CID102547341
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1cc(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C13H13ClN2O2/c1-2-12(13(17)18)16-8-10(7-15-16)9-4-3-5-11(14)6-9/h3-8,12H,2H2,1H3,(H,17,18)
InChIKeyZMLXWSYJZHPCQY-UHFFFAOYSA-N
XLogP3.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic 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

(2S)-2-[4-(3-chlorophenyl)pyrazol-1-yl]propanoic acid
CID 97034148
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
(2R)-2-(4-chloropyrazol-1-yl)butanoate
CID 7017285
(2R)-2-(4-nitropyrazol-1-yl)butanoic acid
CID 7017284
1-butan-2-yl-4-(3-iodophenyl)pyrazole
CID 79787415
ethyl 2-(4-phenylpyrazol-1-yl)pentanoate
CID 83037837
2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid
CID 66760695
3-methyl-2-(4-phenylpyrazol-1-yl)butanoic acid
CID 62771313
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958442
ethyl 2-fluoro-2-(4-phenylpyrazol-1-yl)acetate
CID 81298287
(2S)-2-(4-phenylpyrazol-1-yl)-N-propylpropanamide
CID 100830723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid (CID 102547341) is 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid is CCC(C(=O)O)n1cc(-c2cccc(Cl)c2)cn1.
What is the InChIKey of 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid?
The InChIKey is ZMLXWSYJZHPCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-12(13(17)18)16-8-10(7-15-16)9-4-3-5-11(14)6-9/h3-8,12H,2H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid?
2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid has a molecular weight of 264.71 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 102547341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).