3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid

C18H15ClN2O2 — CID 14497452

IUPAC3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2O2/c19-14-8-6-13(7-9-14)17-12-15(10-11-18(22)23)20-21(17)16-4-2-1-3-5-16/h1-9,12H,10-11H2,(H,22,23)
InChIKeyWXVPSKFHMWDFPT-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.21
Rot. Bonds5

About 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid

3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid (PubChem CID 14497452) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
PubChem CID14497452
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
SMILESO=C(O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2O2/c19-14-8-6-13(7-9-14)17-12-15(10-11-18(22)23)20-21(17)16-4-2-1-3-5-16/h1-9,12H,10-11H2,(H,22,23)
InChIKeyWXVPSKFHMWDFPT-UHFFFAOYSA-N
XLogP4.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
CID 54484375
3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 154721614
[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methanol
CID 11471651
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
3-(bromomethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 11450880
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871
(4-propan-2-ylphenyl) 3-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]propanoate
CID 54754354
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
3-[1-(6-chloropyridazin-3-yl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]propanoic acid
CID 46918885
3-[1-(6-methoxypyridazin-3-yl)-5-phenylpyrazol-3-yl]propanoic acid
CID 46918886
1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 25066913
3-[5-(3-iodophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]propanoic acid
CID 53318791

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid (CID 14497452) is 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid is O=C(O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid?
The InChIKey is WXVPSKFHMWDFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-8-6-13(7-9-14)17-12-15(10-11-18(22)23)20-21(17)16-4-2-1-3-5-16/h1-9,12H,10-11H2,(H,22,23).
What are the key properties of 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid?
3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid has a molecular weight of 326.78 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid is sourced from PubChem (CID 14497452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).