3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one

C15H24N2O2 — CID 115810604

IUPAC3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
SMILESCOc1cnn(C(C)C)c1C(=O)CCC1CCCC1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-15(14(19-3)10-16-17)13(18)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3
InChIKeyPGLHXMCBTCZOKK-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.63
Rot. Bonds6

About 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one

3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one (PubChem CID 115810604) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
PubChem CID115810604
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
SMILESCOc1cnn(C(C)C)c1C(=O)CCC1CCCC1
InChIInChI=1S/C15H24N2O2/c1-11(2)17-15(14(19-3)10-16-17)13(18)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3
InChIKeyPGLHXMCBTCZOKK-UHFFFAOYSA-N
XLogP3.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-piperidin-3-ylpropan-1-one
CID 114668828
cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640723
5-amino-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-one
CID 114671003
(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640768
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638776
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 107187571
2-cyclopropyl-2-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 103455882
(3,3-difluorocyclopentyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114215584
2,2,3,3-tetrafluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 114032582
2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one
CID 114642687
2-(diethylamino)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641077
2-(4-fluorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639086

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one (CID 115810604) is 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one is COc1cnn(C(C)C)c1C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one?
The InChIKey is PGLHXMCBTCZOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)17-15(14(19-3)10-16-17)13(18)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one?
3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one has a molecular weight of 264.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one is sourced from PubChem (CID 115810604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).