2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid

C17H13ClN2O2 — CID 54484375

IUPAC2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN2O2/c18-13-6-8-15(9-7-13)20-16(12-4-2-1-3-5-12)10-14(19-20)11-17(21)22/h1-10H,11H2,(H,21,22)
InChIKeyXRGPWIVNMNJRLS-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.82
Rot. Bonds4

About 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid

2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid (PubChem CID 54484375) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
PubChem CID54484375
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid
SMILESO=C(O)Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN2O2/c18-13-6-8-15(9-7-13)20-16(12-4-2-1-3-5-12)10-14(19-20)11-17(21)22/h1-10H,11H2,(H,21,22)
InChIKeyXRGPWIVNMNJRLS-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[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
3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propanoic acid
CID 14497452
3-(2-chloroethyl)-1-(4-chlorophenyl)-5-phenylpyrazole
CID 154721614
1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]-N-methylacetamide
CID 139817998
3-(bromomethyl)-1-(4-methylphenyl)-5-phenylpyrazole
CID 11404650
2-[1-(4-chlorophenyl)imidazol-4-yl]acetic acid
CID 82476530
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N,2-dimethylpropanamide
CID 15002765

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid (CID 54484375) is 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid is O=C(O)Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid?
The InChIKey is XRGPWIVNMNJRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c18-13-6-8-15(9-7-13)20-16(12-4-2-1-3-5-12)10-14(19-20)11-17(21)22/h1-10H,11H2,(H,21,22).
What are the key properties of 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid?
2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid has a molecular weight of 312.76 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]acetic acid is sourced from PubChem (CID 54484375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).