3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid

C17H13ClN2O3 — CID 3741885

IUPAC3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)O)cc1
InChIInChI=1S/C17H13ClN2O3/c1-23-14-8-6-13(7-9-14)20-16(17(21)22)10-15(19-20)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyUAIOEVXISNTUHQ-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.90
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid

3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid (PubChem CID 3741885) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
PubChem CID3741885
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)O)cc1
InChIInChI=1S/C17H13ClN2O3/c1-23-14-8-6-13(7-9-14)20-16(17(21)22)10-15(19-20)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22)
InChIKeyUAIOEVXISNTUHQ-UHFFFAOYSA-N
XLogP3.90
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid (CID 3741885) is 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid is COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The InChIKey is UAIOEVXISNTUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-14-8-6-13(7-9-14)20-16(17(21)22)10-15(19-20)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid has a molecular weight of 328.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 3741885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).