1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone

C9H12N2O — CID 82869983

IUPAC1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2CC2)n1
InChIInChI=1S/C9H12N2O/c1-11-5-4-8(10-11)6-9(12)7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyHOTIYQAFKGEHFI-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.94
Rot. Bonds3

About 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone

1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 82869983) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID82869983
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(CC(=O)C2CC2)n1
InChIInChI=1S/C9H12N2O/c1-11-5-4-8(10-11)6-9(12)7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyHOTIYQAFKGEHFI-UHFFFAOYSA-N
XLogP0.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82869017
1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123784
1-(azetidin-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116583711
2-(1-methylpyrazol-3-yl)-1-(oxolan-3-yl)ethanone
CID 82868765
1-(3-ethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82868647
1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64772251
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116580777
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
1-(4-butylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975639
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 82869346
1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
CID 65402570
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone (CID 82869983) is 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(CC(=O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is HOTIYQAFKGEHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11-5-4-8(10-11)6-9(12)7-2-3-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone?
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 164.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 82869983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).