2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

C15H19F3N4O2 — CID 131687382

IUPAC2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)CC1=O
InChIInChI=1S/C15H19F3N4O2/c1-20-9-14(7-11(20)23)3-5-22(6-4-14)13(24)10-8-21(2)19-12(10)15(16,17)18/h8H,3-7,9H2,1-2H3
InChIKeyZSPNYJVEAYUWEK-UHFFFAOYSA-N
MW344.34 g/mol
LogP1.52
Rot. Bonds1

About 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 131687382) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID131687382
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)CC1=O
InChIInChI=1S/C15H19F3N4O2/c1-20-9-14(7-11(20)23)3-5-22(6-4-14)13(24)10-8-21(2)19-12(10)15(16,17)18/h8H,3-7,9H2,1-2H3
InChIKeyZSPNYJVEAYUWEK-UHFFFAOYSA-N
XLogP1.52
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70778379
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95341824
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 111561271
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95758998
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 56814513
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95589917
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95292687
8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one
CID 162540376
8-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70761976
2-methyl-8-[4-(5-methylfuran-2-yl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70773830
(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 176856787
2-methyl-8-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (CID 131687382) is 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)CC1=O.
What is the InChIKey of 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZSPNYJVEAYUWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-20-9-14(7-11(20)23)3-5-22(6-4-14)13(24)10-8-21(2)19-12(10)15(16,17)18/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 344.34 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 131687382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).