9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C18H26N4O2 — CID 163307429

IUPAC9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)c2n[nH]c3c2CCC3)C1=O
InChIInChI=1S/C18H26N4O2/c1-12(2)21-10-4-8-18(17(21)24)9-5-11-22(18)16(23)15-13-6-3-7-14(13)19-20-15/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyYAOSAHQEXWQWIF-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.90
Rot. Bonds2

About 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163307429) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163307429
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2C(=O)c2n[nH]c3c2CCC3)C1=O
InChIInChI=1S/C18H26N4O2/c1-12(2)21-10-4-8-18(17(21)24)9-5-11-22(18)16(23)15-13-6-3-7-14(13)19-20-15/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyYAOSAHQEXWQWIF-UHFFFAOYSA-N
XLogP1.90
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-propan-2-yl-1-(1-propan-2-ylpyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630006
9-propan-2-yl-1-[3-(1H-pyrazol-4-yl)benzoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163316785
1-(1,5-dimethylpyrazole-4-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162629731
1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162634819
(4aS,9aS)-4-propan-2-yl-7-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-4a,5,6,8,9,9a-hexahydro-[1,4]oxazino[2,3-d]azepin-3-one
CID 110127022
[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 146125563
2-(3-methylbutyl)-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70712494
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
1-(2-oxo-1H-quinoline-4-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 163307229
1-(6-ethyl-1,5-dimethyl-2-oxopyridine-3-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162632734
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 154820175

Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163307429) is 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2C(=O)c2n[nH]c3c2CCC3)C1=O.
What is the InChIKey of 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is YAOSAHQEXWQWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)21-10-4-8-18(17(21)24)9-5-11-22(18)16(23)15-13-6-3-7-14(13)19-20-15/h12H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 330.43 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163307429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).