2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C15H22N4O2 — CID 72839161

IUPAC2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cc(C(=O)N2CCC3(CCCN(C)C3=O)C2)cn1
InChIInChI=1S/C15H22N4O2/c1-3-19-10-12(9-16-19)13(20)18-8-6-15(11-18)5-4-7-17(2)14(15)21/h9-10H,3-8,11H2,1-2H3
InChIKeyXLQBQAIDRIMMQL-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.99
Rot. Bonds2

About 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72839161) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72839161
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cc(C(=O)N2CCC3(CCCN(C)C3=O)C2)cn1
InChIInChI=1S/C15H22N4O2/c1-3-19-10-12(9-16-19)13(20)18-8-6-15(11-18)5-4-7-17(2)14(15)21/h9-10H,3-8,11H2,1-2H3
InChIKeyXLQBQAIDRIMMQL-UHFFFAOYSA-N
XLogP0.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755109
2-(2-hydroxypropyl)-9-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72894886
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
7-isopropyl-2-[4-(1H-pyrazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72936933
1-[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
(3aS*,7aR*)-5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-3aH-pyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70776662
2-(3-methoxypropyl)-8-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851928
N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]dec-2-yl)-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 72853384
N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921372
4-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide
CID 91921477
5-[1-(1-Methylpyrazole-4-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201713

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 72839161) is 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CCn1cc(C(=O)N2CCC3(CCCN(C)C3=O)C2)cn1.
What is the InChIKey of 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XLQBQAIDRIMMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-19-10-12(9-16-19)13(20)18-8-6-15(11-18)5-4-7-17(2)14(15)21/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 290.37 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazole-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72839161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).