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

C14H9ClN2O3 — CID 43381485

IUPAC1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C14H9ClN2O3/c15-9-4-1-2-5-11(9)17-12(13-6-3-7-20-13)8-10(16-17)14(18)19/h1-8H,(H,18,19)
InChIKeyNEEGNSWEKNSAET-UHFFFAOYSA-N
MW288.69 g/mol
LogP3.48
Rot. Bonds3

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

1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid (PubChem CID 43381485) has the molecular formula C14H9ClN2O3 and a molecular weight of 288.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
PubChem CID43381485
Molecular FormulaC14H9ClN2O3
Molecular Weight288.69 g/mol
Exact Mass288.03
IUPAC Name1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C14H9ClN2O3/c15-9-4-1-2-5-11(9)17-12(13-6-3-7-20-13)8-10(16-17)14(18)19/h1-8H,(H,18,19)
InChIKeyNEEGNSWEKNSAET-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

1-(3,4-dichlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
CID 29269124
5-(furan-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 7537639
1-(3-bromophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
CID 43542653
1-(2-chlorophenyl)-5-(2-methoxyphenyl)pyrazole-3-carboxylic acid
CID 82220353
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 52554012
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421466
[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56546941
N-benzyl-1-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053760
1-(3-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
(4-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone;hydrochloride
CID 119376116
1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 1053753

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid (CID 43381485) is 1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccco2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is NEEGNSWEKNSAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3/c15-9-4-1-2-5-11(9)17-12(13-6-3-7-20-13)8-10(16-17)14(18)19/h1-8H,(H,18,19).
What are the key properties of 1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid?
1-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-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-(2-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 43381485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).