1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone

C14H22N2O — CID 82930287

IUPAC1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C)nn(C2CCCCCC2)c1C
InChIInChI=1S/C14H22N2O/c1-10-14(12(3)17)11(2)16(15-10)13-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3
InChIKeyJVRKJUQVXBYVDD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.60
Rot. Bonds2

About 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone

1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone (PubChem CID 82930287) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone
PubChem CID82930287
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone
SMILESCC(=O)c1c(C)nn(C2CCCCCC2)c1C
InChIInChI=1S/C14H22N2O/c1-10-14(12(3)17)11(2)16(15-10)13-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3
InChIKeyJVRKJUQVXBYVDD-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone (CID 82930287) is 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone is CC(=O)c1c(C)nn(C2CCCCCC2)c1C.
What is the InChIKey of 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone?
The InChIKey is JVRKJUQVXBYVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-14(12(3)17)11(2)16(15-10)13-8-6-4-5-7-9-13/h13H,4-9H2,1-3H3.
What are the key properties of 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone?
1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone has a molecular weight of 234.34 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 82930287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).