1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone

C17H15N3O — CID 155815941

IUPAC1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2ccc(C)cc2)cc1-c1ccccn1
InChIInChI=1S/C17H15N3O/c1-12-6-8-14(9-7-12)16-11-17(20(19-16)13(2)21)15-5-3-4-10-18-15/h3-11H,1-2H3
InChIKeyQDJPDXGMNGUAIK-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.58
Rot. Bonds2

About 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone

1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone (PubChem CID 155815941) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone
PubChem CID155815941
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2ccc(C)cc2)cc1-c1ccccn1
InChIInChI=1S/C17H15N3O/c1-12-6-8-14(9-7-12)16-11-17(20(19-16)13(2)21)15-5-3-4-10-18-15/h3-11H,1-2H3
InChIKeyQDJPDXGMNGUAIK-UHFFFAOYSA-N
XLogP3.58
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-acetyl-5-phenylpyrazol-3-yl)phenyl] acetate
CID 118529484
2-(4-methylphenyl)pyridine;silver
CID 121395993
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
2-phenylpyridine;propan-2-one
CID 174845023
3-(4-bromophenyl)-5-pyridin-2-ylpyrazole-1-carbaldehyde
CID 155809929
3-(4-methylphenyl)-5-pyridin-2-ylpyridine
CID 59510713
1-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]ethanone
CID 164780913
7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 3955995
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone (CID 155815941) is 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone is CC(=O)n1nc(-c2ccc(C)cc2)cc1-c1ccccn1.
What is the InChIKey of 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone?
The InChIKey is QDJPDXGMNGUAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-8-14(9-7-12)16-11-17(20(19-16)13(2)21)15-5-3-4-10-18-15/h3-11H,1-2H3.
What are the key properties of 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone?
1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone has a molecular weight of 277.33 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)-5-pyridin-2-ylpyrazol-1-yl]ethanone is sourced from PubChem (CID 155815941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).