3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid

C12H11ClN2O2 — CID 67143292

IUPAC3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1nc(-c2ccccc2Cl)cc1C(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-2-15-11(12(16)17)7-10(14-15)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,16,17)
InChIKeyNZPRKCGFUMTEQP-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.92
Rot. Bonds3

About 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid

3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid (PubChem CID 67143292) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
PubChem CID67143292
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
SMILESCCn1nc(-c2ccccc2Cl)cc1C(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-2-15-11(12(16)17)7-10(14-15)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,16,17)
InChIKeyNZPRKCGFUMTEQP-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
3-(2-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazole-5-carboxylic acid
CID 3356336
3-(2,4-dichlorophenyl)-1-propylpyrazole-5-carboxylic acid
CID 84761141
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
1-ethyl-3-(2-methoxy-4,5-dimethylphenyl)pyrazole-5-carboxylic acid
CID 82306859
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42879366
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009055
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759370
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate
CID 100785399
1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
CID 2988840

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid (CID 67143292) is 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid is CCn1nc(-c2ccccc2Cl)cc1C(=O)O.
What is the InChIKey of 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid?
The InChIKey is NZPRKCGFUMTEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-15-11(12(16)17)7-10(14-15)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid?
3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid has a molecular weight of 250.69 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 67143292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).