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

C19H17ClN2O2 — CID 91871950

IUPAC3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CCC(=O)O)cc1
InChIInChI=1S/C19H17ClN2O2/c1-13-2-4-14(5-3-13)19-15(6-11-18(23)24)12-22(21-19)17-9-7-16(20)8-10-17/h2-5,7-10,12H,6,11H2,1H3,(H,23,24)
InChIKeyLLMMLTYBRKTDGH-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.52
Rot. Bonds5

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

3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid (PubChem CID 91871950) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
PubChem CID91871950
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CCC(=O)O)cc1
InChIInChI=1S/C19H17ClN2O2/c1-13-2-4-14(5-3-13)19-15(6-11-18(23)24)12-22(21-19)17-9-7-16(20)8-10-17/h2-5,7-10,12H,6,11H2,1H3,(H,23,24)
InChIKeyLLMMLTYBRKTDGH-UHFFFAOYSA-N
XLogP4.52
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
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
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
3-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]-N-methylpropanamide
CID 164628884
CID 67048003
CID 67048003
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
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetonitrile
CID 20542746
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958
N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]-4-(methylamino)butanamide
CID 119756780

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid (CID 91871950) is 3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid is Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2CCC(=O)O)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid?
The InChIKey is LLMMLTYBRKTDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-13-2-4-14(5-3-13)19-15(6-11-18(23)24)12-22(21-19)17-9-7-16(20)8-10-17/h2-5,7-10,12H,6,11H2,1H3,(H,23,24).
What are the key properties of 3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid?
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid has a molecular weight of 340.81 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 91871950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).