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

C14H22N2O — CID 114975659

IUPAC1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2(C)CCCC2)n1
InChIInChI=1S/C14H22N2O/c1-11(2)16-9-6-12(15-16)10-13(17)14(3)7-4-5-8-14/h6,9,11H,4-5,7-8,10H2,1-3H3
InChIKeyWTBUPVZEOISKKS-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.16
Rot. Bonds4

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

1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 114975659) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID114975659
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCC(C)n1ccc(CC(=O)C2(C)CCCC2)n1
InChIInChI=1S/C14H22N2O/c1-11(2)16-9-6-12(15-16)10-13(17)14(3)7-4-5-8-14/h6,9,11H,4-5,7-8,10H2,1-3H3
InChIKeyWTBUPVZEOISKKS-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(dimethylamino)cycloheptyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 79063367
1-(1-aminocyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116598430
2-(1-propan-2-ylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79057412
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567499
1-[1-(aminomethyl)cyclohexyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116614352
1-(4-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 64772251
2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 113431135
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
2-(1-cyclohexylpyrazol-3-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569543
2-(1-butan-2-ylpyrazol-3-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572754
5-methyl-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-one
CID 64771535
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 114975659) is 1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CC(C)n1ccc(CC(=O)C2(C)CCCC2)n1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is WTBUPVZEOISKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)16-9-6-12(15-16)10-13(17)14(3)7-4-5-8-14/h6,9,11H,4-5,7-8,10H2,1-3H3.
What are the key properties of 1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 234.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114975659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).