2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone

C16H26N2O2 — CID 116750456

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone
SMILESCCc1cc(CC(=O)C2(OC)CCCCCC2)n(C)n1
InChIInChI=1S/C16H26N2O2/c1-4-13-11-14(18(2)17-13)12-15(19)16(20-3)9-7-5-6-8-10-16/h11H,4-10,12H2,1-3H3
InChIKeyQUAZEQZCNIUCGM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.83
Rot. Bonds5

About 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone (PubChem CID 116750456) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone
PubChem CID116750456
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone
SMILESCCc1cc(CC(=O)C2(OC)CCCCCC2)n(C)n1
InChIInChI=1S/C16H26N2O2/c1-4-13-11-14(18(2)17-13)12-15(19)16(20-3)9-7-5-6-8-10-16/h11H,4-10,12H2,1-3H3
InChIKeyQUAZEQZCNIUCGM-UHFFFAOYSA-N
XLogP2.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone (CID 116750456) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone is CCc1cc(CC(=O)C2(OC)CCCCCC2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone?
The InChIKey is QUAZEQZCNIUCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-13-11-14(18(2)17-13)12-15(19)16(20-3)9-7-5-6-8-10-16/h11H,4-10,12H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone is sourced from PubChem (CID 116750456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).