2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone

C15H24N2O — CID 114197919

IUPAC2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1nccc1C(=O)CC1CCCCCC1
InChIInChI=1S/C15H24N2O/c1-12(2)17-14(9-10-16-17)15(18)11-13-7-5-3-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyANVDHYHUXHVIQP-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.01
Rot. Bonds4

About 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone

2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 114197919) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID114197919
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1nccc1C(=O)CC1CCCCCC1
InChIInChI=1S/C15H24N2O/c1-12(2)17-14(9-10-16-17)15(18)11-13-7-5-3-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyANVDHYHUXHVIQP-UHFFFAOYSA-N
XLogP4.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197551
2-cyclohexyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331781
N-cyclopentyloxy-2-propan-2-ylpyrazole-3-carboxamide
CID 166198490
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 166871994
2-(4-aminophenyl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197875
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432
(2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
CID 84734168
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
2-cyclopentyl-1-(3-methylimidazol-4-yl)ethanone
CID 82895199

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone (CID 114197919) is 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1nccc1C(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is ANVDHYHUXHVIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)17-14(9-10-16-17)15(18)11-13-7-5-3-4-6-8-13/h9-10,12-13H,3-8,11H2,1-2H3.
What are the key properties of 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone?
2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114197919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).