5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid

C19H18N2O3 — CID 23732214

IUPAC5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2C)cc1
InChIInChI=1S/C19H18N2O3/c1-3-24-15-10-8-14(9-11-15)18-12-16(19(22)23)20-21(18)17-7-5-4-6-13(17)2/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyCHOCMQUPVDBAJX-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.94
Rot. Bonds5

About 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid

5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid (PubChem CID 23732214) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
PubChem CID23732214
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2C)cc1
InChIInChI=1S/C19H18N2O3/c1-3-24-15-10-8-14(9-11-15)18-12-16(19(22)23)20-21(18)17-7-5-4-6-13(17)2/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyCHOCMQUPVDBAJX-UHFFFAOYSA-N
XLogP3.94
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid (CID 23732214) is 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2C)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid?
The InChIKey is CHOCMQUPVDBAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-15-10-8-14(9-11-15)18-12-16(19(22)23)20-21(18)17-7-5-4-6-13(17)2/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid?
5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-1-(2-methylphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 23732214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).