1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone

C9H12N2O — CID 84651886

IUPAC1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(C2CC2)n(C)n1
InChIInChI=1S/C9H12N2O/c1-6(12)8-5-9(7-3-4-7)11(2)10-8/h5,7H,3-4H2,1-2H3
InChIKeyMMASJHCQFADYJE-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.50
Rot. Bonds2

About 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone

1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone (PubChem CID 84651886) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone
PubChem CID84651886
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone
SMILESCC(=O)c1cc(C2CC2)n(C)n1
InChIInChI=1S/C9H12N2O/c1-6(12)8-5-9(7-3-4-7)11(2)10-8/h5,7H,3-4H2,1-2H3
InChIKeyMMASJHCQFADYJE-UHFFFAOYSA-N
XLogP1.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethyl-1H-pyrazol-5-yl)ethan-1-one
CID 7017503
3-cyclopropyl-1-methyl-1H-pyrazole-5-carbaldehyde
CID 50896484
3-ethyl-1-methyl-1H-pyrazole-5-carbaldehyde
CID 57441001
1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carbaldehyde
CID 57441002
1-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)ethanone
CID 75175984
5-cyclopropyl-1-methyl-1H-pyrazole-3-carbaldehyde
CID 83815323
1-tert-butyl-3-cyclopropyl-1H-pyrazole-5-carbaldehyde
CID 155977856
4,4-Dimethyl-1-(1-methyl-1h-pyrazol-3-yl)pentan-1-one
CID 10607869
1-[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone
CID 18466677
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde
CID 22493551
2,2-Dimethyl-1-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-1-one
CID 59637063
1-Cyclopropyl-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]propane-1,3-dione
CID 68755569

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone (CID 84651886) is 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone is CC(=O)c1cc(C2CC2)n(C)n1.
What is the InChIKey of 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone?
The InChIKey is MMASJHCQFADYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(12)8-5-9(7-3-4-7)11(2)10-8/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone?
1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone has a molecular weight of 164.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 84651886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).