1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one

C15H22N4O2 — CID 126899312

IUPAC1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C15H22N4O2/c1-10-14(11(2)17-16-10)15(21)18-8-5-12(6-9-18)19-7-3-4-13(19)20/h12H,3-9H2,1-2H3,(H,16,17)
InChIKeyKYKAISNNUAARNW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.25
Rot. Bonds2

About 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899312) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899312
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1C(=O)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C15H22N4O2/c1-10-14(11(2)17-16-10)15(21)18-8-5-12(6-9-18)19-7-3-4-13(19)20/h12H,3-9H2,1-2H3,(H,16,17)
InChIKeyKYKAISNNUAARNW-UHFFFAOYSA-N
XLogP1.25
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114238132
(3,5-dimethyl-1H-pyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 43582071
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 54877452
1-[4-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55003136
(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 106673072
6-tert-butyl-2-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862247
4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
CID 146082370
(1S,5R)-7-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155914525
(3,5-dimethyl-1H-pyrazol-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 104976335
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123584
(3,5-dimethyl-1H-pyrazol-4-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968876
3-(5-methyl-1H-indazole-3-carbonyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocin-6-one
CID 169170579

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one (CID 126899312) is 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one is Cc1n[nH]c(C)c1C(=O)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is KYKAISNNUAARNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-14(11(2)17-16-10)15(21)18-8-5-12(6-9-18)19-7-3-4-13(19)20/h12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).