1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid

C12H11ClN2O2 — CID 82297656

IUPAC1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-2-11-10(12(16)17)7-15(14-11)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,16,17)
InChIKeyZRBIEJMVIZELDO-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid

1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid (PubChem CID 82297656) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
PubChem CID82297656
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
SMILESCCc1nn(-c2ccc(Cl)cc2)cc1C(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-2-11-10(12(16)17)7-15(14-11)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,16,17)
InChIKeyZRBIEJMVIZELDO-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82301662
3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 82295157
1-(2,4-dimethylphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82294247
methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 66778583
3-(4-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543103
1-(4-chlorophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43324242
3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylic acid
CID 52916544
3-ethyl-1-(2-hydroxyethyl)pyrazole-4-carboxylic acid
CID 39870092
1-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propane-1,3-dione
CID 102810662
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
CID 12737865
4-chloro-2-(3,5-diethyl-1-methylpyrazol-4-yl)benzoic acid
CID 107990171

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid (CID 82297656) is 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid is CCc1nn(-c2ccc(Cl)cc2)cc1C(=O)O.
What is the InChIKey of 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid?
The InChIKey is ZRBIEJMVIZELDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-11-10(12(16)17)7-15(14-11)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid?
1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid has a molecular weight of 250.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 82297656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).