2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone

C13H15N3O — CID 64772423

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
SMILESCC(C)n1ccc(CC(=O)c2cccnc2)n1
InChIInChI=1S/C13H15N3O/c1-10(2)16-7-5-12(15-16)8-13(17)11-4-3-6-14-9-11/h3-7,9-10H,8H2,1-2H3
InChIKeyUPPNQQHJPJPROK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.28
Rot. Bonds4

About 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone

2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone (PubChem CID 64772423) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
PubChem CID64772423
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone
SMILESCC(C)n1ccc(CC(=O)c2cccnc2)n1
InChIInChI=1S/C13H15N3O/c1-10(2)16-7-5-12(15-16)8-13(17)11-4-3-6-14-9-11/h3-7,9-10H,8H2,1-2H3
InChIKeyUPPNQQHJPJPROK-UHFFFAOYSA-N
XLogP2.28
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-propan-2-ylpyrazol-3-yl)-1-pyrazin-2-ylethanone
CID 64770824
1-(4-methyl-3-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114877690
1-(3,5-difluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64771713
1-(4-methylsulfanylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975739
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
2-(5-acetyl-2-pyridinyl)-1-pyridin-3-ylethanone
CID 149217714
2-(2-methylpropylsulfanyl)-1-pyridin-3-ylethanone
CID 65138190
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
1-(3-bromophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 64783155
1-pyridin-3-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105081186
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114033636
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone (CID 64772423) is 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone is CC(C)n1ccc(CC(=O)c2cccnc2)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone?
The InChIKey is UPPNQQHJPJPROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(2)16-7-5-12(15-16)8-13(17)11-4-3-6-14-9-11/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone?
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone has a molecular weight of 229.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanone is sourced from PubChem (CID 64772423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).