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

C16H13N3O3 — CID 76901429

IUPAC2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESCc1[nH]n(-c2cc(C(=O)O)ccn2)c(=O)c1-c1ccccc1
InChIInChI=1S/C16H13N3O3/c1-10-14(11-5-3-2-4-6-11)15(20)19(18-10)13-9-12(16(21)22)7-8-17-13/h2-9,18H,1H3,(H,21,22)
InChIKeyCWJDGROVHAGTOM-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.23
Rot. Bonds3

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

2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (PubChem CID 76901429) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
PubChem CID76901429
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESCc1[nH]n(-c2cc(C(=O)O)ccn2)c(=O)c1-c1ccccc1
InChIInChI=1S/C16H13N3O3/c1-10-14(11-5-3-2-4-6-11)15(20)19(18-10)13-9-12(16(21)22)7-8-17-13/h2-9,18H,1H3,(H,21,22)
InChIKeyCWJDGROVHAGTOM-UHFFFAOYSA-N
XLogP2.23
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (CID 76901429) is 2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is Cc1[nH]n(-c2cc(C(=O)O)ccn2)c(=O)c1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is CWJDGROVHAGTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-14(11-5-3-2-4-6-11)15(20)19(18-10)13-9-12(16(21)22)7-8-17-13/h2-9,18H,1H3,(H,21,22).
What are the key properties of 2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 76901429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).