3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one

C15H24N2O — CID 116538402

IUPAC3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one
SMILESCCC(CC)n1ccc(CC2(C)CCC(=O)C2)n1
InChIInChI=1S/C15H24N2O/c1-4-13(5-2)17-9-7-12(16-17)10-15(3)8-6-14(18)11-15/h7,9,13H,4-6,8,10-11H2,1-3H3
InChIKeyKWSYYAWDVTXLPD-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.55
Rot. Bonds5

About 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one

3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one (PubChem CID 116538402) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one
PubChem CID116538402
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one
SMILESCCC(CC)n1ccc(CC2(C)CCC(=O)C2)n1
InChIInChI=1S/C15H24N2O/c1-4-13(5-2)17-9-7-12(16-17)10-15(3)8-6-14(18)11-15/h7,9,13H,4-6,8,10-11H2,1-3H3
InChIKeyKWSYYAWDVTXLPD-UHFFFAOYSA-N
XLogP3.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methylazetidin-3-yl)methyl]-1-pentan-3-ylpyrazole
CID 79451419
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64785449
4,4-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 64784476
4-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 65395111
N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991851
2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol
CID 106663847
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884
4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
CID 65079479
[3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 66059014
5-ethyl-5-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
CID 64778325
2-cyclopropyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxolan-3-amine
CID 104510350
2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 79359126

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one?
The IUPAC name of 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one (CID 116538402) is 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one is CCC(CC)n1ccc(CC2(C)CCC(=O)C2)n1.
What is the InChIKey of 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one?
The InChIKey is KWSYYAWDVTXLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13(5-2)17-9-7-12(16-17)10-15(3)8-6-14(18)11-15/h7,9,13H,4-6,8,10-11H2,1-3H3.
What are the key properties of 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one?
3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 116538402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).