1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C20H32N4O2 — CID 162637228

IUPAC1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2c(C)nn(C(C)C)c2C)C1=O
InChIInChI=1S/C20H32N4O2/c1-6-11-22-12-7-9-20(19(22)26)10-8-13-23(20)18(25)17-15(4)21-24(14(2)3)16(17)5/h14H,6-13H2,1-5H3
InChIKeyNVAAIWDIFFGRRZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.09
Rot. Bonds4

About 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162637228) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162637228
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)c2c(C)nn(C(C)C)c2C)C1=O
InChIInChI=1S/C20H32N4O2/c1-6-11-22-12-7-9-20(19(22)26)10-8-13-23(20)18(25)17-15(4)21-24(14(2)3)16(17)5/h14H,6-13H2,1-5H3
InChIKeyNVAAIWDIFFGRRZ-UHFFFAOYSA-N
XLogP3.09
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-dimethylpyrimidine-5-carbonyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162636176
1-(3-methyl-1,2-oxazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162634313
1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629419
1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631168
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389
1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631229
3-(10-oxo-9-propyl-1,9-diazaspiro[4.5]decane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 162638931
9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633197
1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628852
1-(2-chloro-6-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164696260
1-[3-(2,4-dimethylphenyl)propanoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162625940

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 162637228) is 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2C(=O)c2c(C)nn(C(C)C)c2C)C1=O.
What is the InChIKey of 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is NVAAIWDIFFGRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-6-11-22-12-7-9-20(19(22)26)10-8-13-23(20)18(25)17-15(4)21-24(14(2)3)16(17)5/h14H,6-13H2,1-5H3.
What are the key properties of 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 360.50 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162637228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).