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

C12H11N3O3 — CID 76901427

IUPAC2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2[nH]c(C3CC3)cc2=O)c1
InChIInChI=1S/C12H11N3O3/c16-11-6-9(7-1-2-7)14-15(11)10-5-8(12(17)18)3-4-13-10/h3-7,14H,1-2H2,(H,17,18)
InChIKeyOWGMCGCRCMAWJU-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.14
Rot. Bonds3

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

2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (PubChem CID 76901427) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
PubChem CID76901427
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2[nH]c(C3CC3)cc2=O)c1
InChIInChI=1S/C12H11N3O3/c16-11-6-9(7-1-2-7)14-15(11)10-5-8(12(17)18)3-4-13-10/h3-7,14H,1-2H2,(H,17,18)
InChIKeyOWGMCGCRCMAWJU-UHFFFAOYSA-N
XLogP1.14
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
CID 76901430
2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
CID 76901434
5-cyclopropyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 66021881
5-cyclopropyl-2-phenyl-1H-pyrazol-3-one
CID 66022699
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid
CID 83832434
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid
CID 56874712
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
CID 114512335
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
CID 86705136

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (CID 76901427) is 2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2[nH]c(C3CC3)cc2=O)c1.
What is the InChIKey of 2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is OWGMCGCRCMAWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-11-6-9(7-1-2-7)14-15(11)10-5-8(12(17)18)3-4-13-10/h3-7,14H,1-2H2,(H,17,18).
What are the key properties of 2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 76901427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).