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

C18H15ClN2O3 — CID 20542726

IUPAC2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
SMILESCOc1ccc(-n2cc(CC(=O)O)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H15ClN2O3/c1-24-16-8-6-15(7-9-16)21-11-13(10-17(22)23)18(20-21)12-2-4-14(19)5-3-12/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyQEVBJHISBJJETK-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.83
Rot. Bonds5

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

2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid (PubChem CID 20542726) has the molecular formula C18H15ClN2O3 and a molecular weight of 342.78 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
PubChem CID20542726
Molecular FormulaC18H15ClN2O3
Molecular Weight342.78 g/mol
Exact Mass342.08
IUPAC Name2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
SMILESCOc1ccc(-n2cc(CC(=O)O)c(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H15ClN2O3/c1-24-16-8-6-15(7-9-16)21-11-13(10-17(22)23)18(20-21)12-2-4-14(19)5-3-12/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyQEVBJHISBJJETK-UHFFFAOYSA-N
XLogP3.83
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871979
[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
CID 67048003
CID 67048003
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
3-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 91871952
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950
4-[1-(4-carboxyphenyl)-4-[(4-methoxyanilino)methyl]pyrazol-3-yl]benzoic acid
CID 155808884
3-[3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]propanoic acid
CID 91871978
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2502427
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid (CID 20542726) is 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid is COc1ccc(-n2cc(CC(=O)O)c(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid?
The InChIKey is QEVBJHISBJJETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3/c1-24-16-8-6-15(7-9-16)21-11-13(10-17(22)23)18(20-21)12-2-4-14(19)5-3-12/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid?
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid has a molecular weight of 342.78 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 20542726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).