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

C12H13N3O3 — CID 76901431

IUPAC2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESCCCc1cc(=O)n(-c2cc(C(=O)O)ccn2)[nH]1
InChIInChI=1S/C12H13N3O3/c1-2-3-9-7-11(16)15(14-9)10-6-8(12(17)18)4-5-13-10/h4-7,14H,2-3H2,1H3,(H,17,18)
InChIKeyRVAYBRPTDWETSV-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.21
Rot. Bonds4

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

2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (PubChem CID 76901431) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
PubChem CID76901431
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESCCCc1cc(=O)n(-c2cc(C(=O)O)ccn2)[nH]1
InChIInChI=1S/C12H13N3O3/c1-2-3-9-7-11(16)15(14-9)10-6-8(12(17)18)4-5-13-10/h4-7,14H,2-3H2,1H3,(H,17,18)
InChIKeyRVAYBRPTDWETSV-UHFFFAOYSA-N
XLogP1.21
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (CID 76901431) is 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is CCCc1cc(=O)n(-c2cc(C(=O)O)ccn2)[nH]1.
What is the InChIKey of 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is RVAYBRPTDWETSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-3-9-7-11(16)15(14-9)10-6-8(12(17)18)4-5-13-10/h4-7,14H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-5-propyl-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 76901431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).