2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O2 — CID 119059917

IUPAC2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C18H28N4O2/c1-5-22-15(11-14(19-22)13(2)3)16(23)21-10-8-18(12-21)7-6-9-20(4)17(18)24/h11,13H,5-10,12H2,1-4H3
InChIKeyCIOBSUKGYAEMHX-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.11
Rot. Bonds3

About 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 119059917) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID119059917
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C18H28N4O2/c1-5-22-15(11-14(19-22)13(2)3)16(23)21-10-8-18(12-21)7-6-9-20(4)17(18)24/h11,13H,5-10,12H2,1-4H3
InChIKeyCIOBSUKGYAEMHX-UHFFFAOYSA-N
XLogP2.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875316
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97285272
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 70734009
7-methyl-2-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56741799
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658
[4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 139010155
2-methyl-9-(1-methyl-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131688867
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
(5R)-2-(1,3-benzodioxole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 25385054
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 119059917) is 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CCn1nc(C(C)C)cc1C(=O)N1CCC2(CCCN(C)C2=O)C1.
What is the InChIKey of 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CIOBSUKGYAEMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-5-22-15(11-14(19-22)13(2)3)16(23)21-10-8-18(12-21)7-6-9-20(4)17(18)24/h11,13H,5-10,12H2,1-4H3.
What are the key properties of 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.45 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 119059917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).