1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone

C16H26N2O — CID 65402570

IUPAC1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
SMILESCCC(CC)n1ccc(CC(=O)C2CCC(C)C2)n1
InChIInChI=1S/C16H26N2O/c1-4-15(5-2)18-9-8-14(17-18)11-16(19)13-7-6-12(3)10-13/h8-9,12-13,15H,4-7,10-11H2,1-3H3
InChIKeyVFXVPEPNHSDSIX-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.79
Rot. Bonds6

About 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone

1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone (PubChem CID 65402570) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
PubChem CID65402570
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone
SMILESCCC(CC)n1ccc(CC(=O)C2CCC(C)C2)n1
InChIInChI=1S/C16H26N2O/c1-4-15(5-2)18-9-8-14(17-18)11-16(19)13-7-6-12(3)10-13/h8-9,12-13,15H,4-7,10-11H2,1-3H3
InChIKeyVFXVPEPNHSDSIX-UHFFFAOYSA-N
XLogP3.79
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone (CID 65402570) is 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone is CCC(CC)n1ccc(CC(=O)C2CCC(C)C2)n1.
What is the InChIKey of 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
The InChIKey is VFXVPEPNHSDSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-15(5-2)18-9-8-14(17-18)11-16(19)13-7-6-12(3)10-13/h8-9,12-13,15H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone?
1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 65402570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).