5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid

C18H16N2O3 — CID 2771353

IUPAC5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O3/c1-2-23-15-10-8-13(9-11-15)17-12-16(18(21)22)19-20(17)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,21,22)
InChIKeyQHXBYJRUEXSIEL-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.64
Rot. Bonds5

About 5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid

5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid (PubChem CID 2771353) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
PubChem CID2771353
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
SMILESCCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O3/c1-2-23-15-10-8-13(9-11-15)17-12-16(18(21)22)19-20(17)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,21,22)
InChIKeyQHXBYJRUEXSIEL-UHFFFAOYSA-N
XLogP3.64
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.64
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-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid (CID 2771353) is 5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid is CCOc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is QHXBYJRUEXSIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-23-15-10-8-13(9-11-15)17-12-16(18(21)22)19-20(17)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of 5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid?
5-(4-ethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.64, 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-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 2771353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).