1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid

C14H9ClN2O3 — CID 812103

IUPAC1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O3/c15-9-3-5-10(6-4-9)17-12(14(18)19)8-11(16-17)13-2-1-7-20-13/h1-8H,(H,18,19)
InChIKeyVVQAPUFZTFPCBA-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid

1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid (PubChem CID 812103) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid
PubChem CID812103
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2O3/c15-9-3-5-10(6-4-9)17-12(14(18)19)8-11(16-17)13-2-1-7-20-13/h1-8H,(H,18,19)
InChIKeyVVQAPUFZTFPCBA-UHFFFAOYSA-N
XLogP3.48
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid (CID 812103) is 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid?
The InChIKey is VVQAPUFZTFPCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-9-3-5-10(6-4-9)17-12(14(18)19)8-11(16-17)13-2-1-7-20-13/h1-8H,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid?
1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid has a molecular weight of 288.69 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 812103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).