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

C13H14N2O3 — CID 42818248

IUPAC5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C13H14N2O3/c1-3-12-11(13(16)17)8-14-15(12)9-4-6-10(18-2)7-5-9/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyOMMSPYVIZNGJJK-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.14
Rot. Bonds4

About 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid

5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 42818248) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
PubChem CID42818248
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
SMILESCCc1c(C(=O)O)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C13H14N2O3/c1-3-12-11(13(16)17)8-14-15(12)9-4-6-10(18-2)7-5-9/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyOMMSPYVIZNGJJK-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid (CID 42818248) is 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid is CCc1c(C(=O)O)cnn1-c1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is OMMSPYVIZNGJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-12-11(13(16)17)8-14-15(12)9-4-6-10(18-2)7-5-9/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid?
5-ethyl-1-(4-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 5-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 42818248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).