2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one

C11H18N2O — CID 66020260

IUPAC2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C11H18N2O/c1-8(2)10-7-11(14)13(12-10)9-5-3-4-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyITLIZQGUILLHSG-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.41
Rot. Bonds2

About 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one

2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one (PubChem CID 66020260) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one
PubChem CID66020260
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)c1cc(=O)n(C2CCCC2)[nH]1
InChIInChI=1S/C11H18N2O/c1-8(2)10-7-11(14)13(12-10)9-5-3-4-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyITLIZQGUILLHSG-UHFFFAOYSA-N
XLogP2.41
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one (CID 66020260) is 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one is CC(C)c1cc(=O)n(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is ITLIZQGUILLHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)10-7-11(14)13(12-10)9-5-3-4-6-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one?
2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 66020260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).