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

C14H9ClN2O3 — CID 812108

IUPAC1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN2O3/c15-9-3-1-4-10(7-9)17-12(14(18)19)8-11(16-17)13-5-2-6-20-13/h1-8H,(H,18,19)
InChIKeyYIUISIOBTIMXEL-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.48
Rot. Bonds3

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

1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid (PubChem CID 812108) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid
PubChem CID812108
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C14H9ClN2O3/c15-9-3-1-4-10(7-9)17-12(14(18)19)8-11(16-17)13-5-2-6-20-13/h1-8H,(H,18,19)
InChIKeyYIUISIOBTIMXEL-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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Related Compounds

5-(2-furyl)-3-methyl-1-phenyl-1H-pyrazole
CID 708752
2-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carboxylic Acid
CID 812103
2-(2,4-dimethylphenyl)-5-(2-furyl)pyrazole-3-carboxylic Acid
CID 812129
[2-(3-Chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 1053503
Ethyl 3-(furan-2-yl)-1-(4-methylphenyl)pyrazole-5-carboxylate
CID 2366791
3-(furan-2-yl)-1-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 812102
3-(Furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 7537643
1-(3,4-Dichlorophenyl)-5-(2-furanyl)-1H-pyrazole-3-carboxylic acid
CID 29269124
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
CID 18155726
4-[5-(Furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenol
CID 90316161
3-(furan-2-yl)-1-phenyl-1H-pyrazole-5-carboxylic acid
CID 812101
1-(4-chlorophenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 16227907

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid (CID 812108) is 1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid?
The InChIKey is YIUISIOBTIMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-9-3-1-4-10(7-9)17-12(14(18)19)8-11(16-17)13-5-2-6-20-13/h1-8H,(H,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid?
1-(3-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-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 812108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).