1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one

C15H24N4O — CID 71927062

IUPAC1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1cc(C2CCCN(CCN3CCCC3=O)C2)n[nH]1
InChIInChI=1S/C15H24N4O/c1-12-10-14(17-16-12)13-4-2-6-18(11-13)8-9-19-7-3-5-15(19)20/h10,13H,2-9,11H2,1H3,(H,16,17)
InChIKeyKEAVEDCTDGDGRK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.52
Rot. Bonds4

About 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 71927062) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID71927062
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1cc(C2CCCN(CCN3CCCC3=O)C2)n[nH]1
InChIInChI=1S/C15H24N4O/c1-12-10-14(17-16-12)13-4-2-6-18(11-13)8-9-19-7-3-5-15(19)20/h10,13H,2-9,11H2,1H3,(H,16,17)
InChIKeyKEAVEDCTDGDGRK-UHFFFAOYSA-N
XLogP1.52
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(3-isobutyl-1H-pyrazol-5-yl)carbonyl]-4-(1-pyrrolidinylcarbonyl)-1,4'-bipiperidine
CID 16187219
US10022354, Example 145
CID 132070196
US11691968, Example 138
CID 167524468
US11691968, Example 136
CID 167524562
US20230271952, Example 136
CID 168678798
US20230271952, Example 138
CID 168678799
1-(cyclohexylmethyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 45236786
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N'-cyclopentyl-N-methylsuccinamide
CID 50968242
1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51104533
N-Methyl-3-(piperidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66509253
2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 71926769
6-methyl-3-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 71926805

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 71927062) is 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one is Cc1cc(C2CCCN(CCN3CCCC3=O)C2)n[nH]1.
What is the InChIKey of 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is KEAVEDCTDGDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-10-14(17-16-12)13-4-2-6-18(11-13)8-9-19-7-3-5-15(19)20/h10,13H,2-9,11H2,1H3,(H,16,17).
What are the key properties of 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 71927062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).