2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one

C9H9N3O — CID 114763827

IUPAC2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one
SMILESCN1N=C(c2ccccn2)CC1=O
InChIInChI=1S/C9H9N3O/c1-12-9(13)6-8(11-12)7-4-2-3-5-10-7/h2-5H,6H2,1H3
InChIKeyUGYLMCFSODDIIV-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.65
Rot. Bonds1

About 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one

2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one (PubChem CID 114763827) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one
PubChem CID114763827
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one
SMILESCN1N=C(c2ccccn2)CC1=O
InChIInChI=1S/C9H9N3O/c1-12-9(13)6-8(11-12)7-4-2-3-5-10-7/h2-5H,6H2,1H3
InChIKeyUGYLMCFSODDIIV-UHFFFAOYSA-N
XLogP0.65
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-2-methyl-4H-pyrazol-3-one
CID 53438199
2-(5-pyridin-2-yl-4H-pyrazol-3-yl)pyridine
CID 58175901
5-(4-bromophenyl)-2-methyl-4H-pyrazol-3-one
CID 53438982
2-(2H-azirin-3-yl)pyridine
CID 123655147
1-bromopyrrolidine-2,5-dione;2-pyridin-2-ylpyridine
CID 174842042
2-tert-butyl-6-pyridin-2-yl-7H-imidazo[1,2-b]pyrazole
CID 163632237
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one (CID 114763827) is 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one is CN1N=C(c2ccccn2)CC1=O.
What is the InChIKey of 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one?
The InChIKey is UGYLMCFSODDIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-9(13)6-8(11-12)7-4-2-3-5-10-7/h2-5H,6H2,1H3.
What are the key properties of 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one?
2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one has a molecular weight of 175.19 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyridin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 114763827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).