1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid

C17H12N2O4 — CID 3239291

IUPAC1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C17H12N2O4/c20-16(21)12-8-4-5-9-14(12)19-15(10-13(18-19)17(22)23)11-6-2-1-3-7-11/h1-10H,(H,20,21)(H,22,23)
InChIKeyUGYPKDYYVUSSPB-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid

1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid (PubChem CID 3239291) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid
PubChem CID3239291
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C17H12N2O4/c20-16(21)12-8-4-5-9-14(12)19-15(10-13(18-19)17(22)23)11-6-2-1-3-7-11/h1-10H,(H,20,21)(H,22,23)
InChIKeyUGYPKDYYVUSSPB-UHFFFAOYSA-N
XLogP2.94
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid (CID 3239291) is 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccccc2)n(-c2ccccc2C(=O)O)n1.
What is the InChIKey of 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid?
The InChIKey is UGYPKDYYVUSSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-16(21)12-8-4-5-9-14(12)19-15(10-13(18-19)17(22)23)11-6-2-1-3-7-11/h1-10H,(H,20,21)(H,22,23).
What are the key properties of 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid?
1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid has a molecular weight of 308.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxyphenyl)-5-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 3239291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).