5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one

C14H12N4O — CID 58016351

IUPAC5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one
SMILESCn1cc(-c2ccc(=O)n(-c3ccncc3)c2)cn1
InChIInChI=1S/C14H12N4O/c1-17-9-12(8-16-17)11-2-3-14(19)18(10-11)13-4-6-15-7-5-13/h2-10H,1H3
InChIKeySBKLMLRENOCDNI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.63
Rot. Bonds2

About 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one

5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one (PubChem CID 58016351) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one
PubChem CID58016351
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one
SMILESCn1cc(-c2ccc(=O)n(-c3ccncc3)c2)cn1
InChIInChI=1S/C14H12N4O/c1-17-9-12(8-16-17)11-2-3-14(19)18(10-11)13-4-6-15-7-5-13/h2-10H,1H3
InChIKeySBKLMLRENOCDNI-UHFFFAOYSA-N
XLogP1.63
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016352
1-phenyl-5-pyridin-3-ylpyridin-2-one
CID 58016476
2-deuterio-4-(1-methylpyrazol-4-yl)pyridine
CID 175847342
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
CID 121400777
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
1-methyl-6-(1-methylpyrazol-4-yl)-3-pyrimidin-4-ylindole
CID 175873323
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
[2-(1-methylpyrazol-4-yl)phenyl]phosphane
CID 166648081
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
3-(1-methylpyrazol-4-yl)-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraene
CID 123423735

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one (CID 58016351) is 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one is Cn1cc(-c2ccc(=O)n(-c3ccncc3)c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one?
The InChIKey is SBKLMLRENOCDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-17-9-12(8-16-17)11-2-3-14(19)18(10-11)13-4-6-15-7-5-13/h2-10H,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one?
5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one has a molecular weight of 252.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-1-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 58016351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).