1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C13H15N3O — CID 105081186

IUPAC1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)c1cccnc1
InChIInChI=1S/C13H15N3O/c1-9-12(10(2)16(3)15-9)7-13(17)11-5-4-6-14-8-11/h4-6,8H,7H2,1-3H3
InChIKeyMTCOUZFWPZNYAR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds3

About 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 105081186) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID105081186
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)c1cccnc1
InChIInChI=1S/C13H15N3O/c1-9-12(10(2)16(3)15-9)7-13(17)11-5-4-6-14-8-11/h4-6,8H,7H2,1-3H3
InChIKeyMTCOUZFWPZNYAR-UHFFFAOYSA-N
XLogP1.86
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105113419
1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105100408
2-(4-tert-butyl-2,6-dimethylphenyl)-1-pyridin-3-ylethanone
CID 60924746
1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 43067423
1-(5-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105111587
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1-pyridin-3-ylethanone
CID 168991838
1-(4-methyl-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 105113394
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64772423
1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 114281153
1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105095663
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] pyridine-3-carboxylate
CID 8647499
1-(3-chloro-4-pyridinyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-one
CID 105107531

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 105081186) is 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(C)c1CC(=O)c1cccnc1.
What is the InChIKey of 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is MTCOUZFWPZNYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-12(10(2)16(3)15-9)7-13(17)11-5-4-6-14-8-11/h4-6,8H,7H2,1-3H3.
What are the key properties of 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 105081186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).