1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone

C13H15N3O — CID 170580254

IUPAC1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)n(-c2ccccn2)n1
InChIInChI=1S/C13H15N3O/c1-9(2)12-8-11(10(3)17)15-16(12)13-6-4-5-7-14-13/h4-9H,1-3H3
InChIKeyCQSRADQZQHZVRZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.59
Rot. Bonds3

About 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone

1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone (PubChem CID 170580254) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
PubChem CID170580254
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(C(C)C)n(-c2ccccn2)n1
InChIInChI=1S/C13H15N3O/c1-9(2)12-8-11(10(3)17)15-16(12)13-6-4-5-7-14-13/h4-9H,1-3H3
InChIKeyCQSRADQZQHZVRZ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-5-propan-2-ylpyrazol-1-yl)pyridine
CID 166024324
N-(1-ethyl-6-oxo-3-pyridinyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide
CID 119042734
N-[4-methyl-3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-3-carboxamide
CID 99696326
2-[3-(4-chlorophenyl)-5-propan-2-ylpyrazol-1-yl]pyridine
CID 57160106
N-(3-methyl-2-pyridinyl)-1-phenyl-5-propan-2-ylpyrazole-3-carboxamide
CID 99713995
5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23143661
methyl 5-amino-1-pyridin-2-ylpyrazole-3-carboxylate
CID 86250027
1-(2-fluorophenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 60725596
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
1-methyl-5-propan-2-yl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 110674207
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
propan-2-one;1-pyridin-2-ylethanone
CID 158043833

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone (CID 170580254) is 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone is CC(=O)c1cc(C(C)C)n(-c2ccccn2)n1.
What is the InChIKey of 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone?
The InChIKey is CQSRADQZQHZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(2)12-8-11(10(3)17)15-16(12)13-6-4-5-7-14-13/h4-9H,1-3H3.
What are the key properties of 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone?
1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 170580254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).