1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid

C13H14N2O3 — CID 20848740

IUPAC1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCCn1cc(C(=O)O)c(-c2ccccc2OC)n1
InChIInChI=1S/C13H14N2O3/c1-3-15-8-10(13(16)17)12(14-15)9-6-4-5-7-11(9)18-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyDOCPMYXBPHEIBJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.28
Rot. Bonds4

About 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid

1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 20848740) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid
PubChem CID20848740
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCCn1cc(C(=O)O)c(-c2ccccc2OC)n1
InChIInChI=1S/C13H14N2O3/c1-3-15-8-10(13(16)17)12(14-15)9-6-4-5-7-11(9)18-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyDOCPMYXBPHEIBJ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carboxylic acid
CID 61264924
3-(2-bromophenyl)-1-ethylpyrazole-4-carboxylic acid
CID 20848732
3-(2,4-dimethoxyphenyl)-1-propylpyrazole-4-carboxylic acid
CID 61266679
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25393779
4-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 83645102
1-ethyl-3-(3-methylphenyl)pyrazole-4-carboxylic acid
CID 20848730
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-benzyl-3-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 25387163
1-benzyl-N-cyclohexyl-3-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 9041373
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
3-phenyl-1-propylpyrazole-4-carboxylic acid
CID 61266498

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid (CID 20848740) is 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid is CCn1cc(C(=O)O)c(-c2ccccc2OC)n1.
What is the InChIKey of 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is DOCPMYXBPHEIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-15-8-10(13(16)17)12(14-15)9-6-4-5-7-11(9)18-2/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid?
1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 20848740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).