2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone

C15H24N2O2 — CID 116750559

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(=O)Cc2cc(C)nn2C)CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-12-10-13(17(2)16-12)11-14(18)15(19-3)8-6-4-5-7-9-15/h10H,4-9,11H2,1-3H3
InChIKeyXVTHXRYIWIQQMX-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.58
Rot. Bonds4

About 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone (PubChem CID 116750559) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone
PubChem CID116750559
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(=O)Cc2cc(C)nn2C)CCCCCC1
InChIInChI=1S/C15H24N2O2/c1-12-10-13(17(2)16-12)11-14(18)15(19-3)8-6-4-5-7-9-15/h10H,4-9,11H2,1-3H3
InChIKeyXVTHXRYIWIQQMX-UHFFFAOYSA-N
XLogP2.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone (CID 116750559) is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone is COC1(C(=O)Cc2cc(C)nn2C)CCCCCC1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone?
The InChIKey is XVTHXRYIWIQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12-10-13(17(2)16-12)11-14(18)15(19-3)8-6-4-5-7-9-15/h10H,4-9,11H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone?
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone is sourced from PubChem (CID 116750559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).