2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid

C12H12N2O3 — CID 6498466

IUPAC2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1CC(=O)O
InChIInChI=1S/C12H12N2O3/c1-8-10(7-11(15)16)12(17)14(13-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3,(H,15,16)
InChIKeyCFZCVUCORZBGAZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.10
Rot. Bonds3

About 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid

2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid (PubChem CID 6498466) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid
PubChem CID6498466
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1CC(=O)O
InChIInChI=1S/C12H12N2O3/c1-8-10(7-11(15)16)12(17)14(13-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3,(H,15,16)
InChIKeyCFZCVUCORZBGAZ-UHFFFAOYSA-N
XLogP1.10
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid?
The IUPAC name of 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid (CID 6498466) is 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid is Cc1[nH]n(-c2ccccc2)c(=O)c1CC(=O)O.
What is the InChIKey of 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid?
The InChIKey is CFZCVUCORZBGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-10(7-11(15)16)12(17)14(13-8)9-5-3-2-4-6-9/h2-6,13H,7H2,1H3,(H,15,16).
What are the key properties of 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid?
2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid has a molecular weight of 232.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetic acid is sourced from PubChem (CID 6498466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).