1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one

C16H26N4O — CID 75515986

IUPAC1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCCc1nn(C)cc1CN1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C16H26N4O/c1-3-15-13(10-18(2)17-15)11-19-8-4-6-14(12-19)20-9-5-7-16(20)21/h10,14H,3-9,11-12H2,1-2H3
InChIKeyIUZXHVJNMROAIB-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.57
Rot. Bonds4

About 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one

1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one (PubChem CID 75515986) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
PubChem CID75515986
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one
SMILESCCc1nn(C)cc1CN1CCCC(N2CCCC2=O)C1
InChIInChI=1S/C16H26N4O/c1-3-15-13(10-18(2)17-15)11-19-8-4-6-14(12-19)20-9-5-7-16(20)21/h10,14H,3-9,11-12H2,1-2H3
InChIKeyIUZXHVJNMROAIB-UHFFFAOYSA-N
XLogP1.57
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 112672079
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 112672077
(3S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperazine
CID 103918004
7-methyl-3-[[(3S)-3-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95551835
1-[1-(5-hydroxypentyl)piperidin-3-yl]pyrrolidin-2-one
CID 111116676
1-(azetidin-3-yl)-4-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperazine
CID 112670015
N-[[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 115990267
1-[(3S)-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidin-3-yl]pyrrolidin-2-one
CID 95463875
6-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678610
(4aS,7aS)-6-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 103918281
1-(1-butylazetidin-3-yl)pyrrolidin-2-one
CID 176923979
1-[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrrolidin-2-one
CID 74239581

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one (CID 75515986) is 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one is CCc1nn(C)cc1CN1CCCC(N2CCCC2=O)C1.
What is the InChIKey of 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is IUZXHVJNMROAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-15-13(10-18(2)17-15)11-19-8-4-6-14(12-19)20-9-5-7-16(20)21/h10,14H,3-9,11-12H2,1-2H3.
What are the key properties of 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one?
1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 75515986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).