3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid

C19H17ClN2O3 — CID 91871979

IUPAC3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
SMILESCOc1ccc(-n2cc(CCC(=O)O)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H17ClN2O3/c1-25-17-9-7-16(8-10-17)22-12-14(4-11-18(23)24)19(21-22)13-2-5-15(20)6-3-13/h2-3,5-10,12H,4,11H2,1H3,(H,23,24)
InChIKeyUDCWZHNLTVEJIU-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.22
Rot. Bonds6

About 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid

3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid (PubChem CID 91871979) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
PubChem CID91871979
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
SMILESCOc1ccc(-n2cc(CCC(=O)O)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H17ClN2O3/c1-25-17-9-7-16(8-10-17)22-12-14(4-11-18(23)24)19(21-22)13-2-5-15(20)6-3-13/h2-3,5-10,12H,4,11H2,1H3,(H,23,24)
InChIKeyUDCWZHNLTVEJIU-UHFFFAOYSA-N
XLogP4.22
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic 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

2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871952
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950
3-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]propanoic acid
CID 91871978
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
3-[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871983
3-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 39096185
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
3-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]-N-methylpropanamide
CID 164628884
CID 67048003
CID 67048003
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid (CID 91871979) is 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid is COc1ccc(-n2cc(CCC(=O)O)c(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid?
The InChIKey is UDCWZHNLTVEJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-25-17-9-7-16(8-10-17)22-12-14(4-11-18(23)24)19(21-22)13-2-5-15(20)6-3-13/h2-3,5-10,12H,4,11H2,1H3,(H,23,24).
What are the key properties of 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid?
3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid has a molecular weight of 356.81 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 91871979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).