3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid

C13H14N2O3 — CID 82295157

IUPAC3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCCc1nn(-c2cccc(OC)c2)cc1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-3-12-11(13(16)17)8-15(14-12)9-5-4-6-10(7-9)18-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyWPPXZSDVXOAEBS-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.14
Rot. Bonds4

About 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid

3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 82295157) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
PubChem CID82295157
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCCc1nn(-c2cccc(OC)c2)cc1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-3-12-11(13(16)17)8-15(14-12)9-5-4-6-10(7-9)18-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyWPPXZSDVXOAEBS-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-pyridin-3-ylpyrazole-4-carboxylic acid
CID 67456871
methyl 3-(methoxymethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylate
CID 66777683
1-(4-ethoxyphenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82301662
3-[4-bromo-1-(3-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 116818732
1-(3-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 114798384
1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylic acid
CID 82297656
methyl 3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 66778583
1-(3-methoxyphenyl)-3-(2-nitrophenyl)pyrazole-4-carboxylic acid
CID 23153898
lithium;ethyl 1-(3-methoxyphenyl)triazole-4-carboxylate;1-(3-methoxyphenyl)triazole-4-carboxylic acid;hydroxide
CID 159859815
2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
CID 82390451
N,N-diethyl-4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazine-1-sulfonamide
CID 24598452
1-[4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 52573416

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid (CID 82295157) is 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid is CCc1nn(-c2cccc(OC)c2)cc1C(=O)O.
What is the InChIKey of 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is WPPXZSDVXOAEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-12-11(13(16)17)8-15(14-12)9-5-4-6-10(7-9)18-2/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid?
3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82295157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).