2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one

C18H28N4O2 — CID 72926411

IUPAC2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCCC2(CCN(C(=O)CCc3n[nH]c(C)c3C)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-4-21-10-5-8-18(17(21)24)9-11-22(12-18)16(23)7-6-15-13(2)14(3)19-20-15/h4-12H2,1-3H3,(H,19,20)
InChIKeyBLKQKRBZLCEHOL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.82
Rot. Bonds4

About 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one

2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72926411) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72926411
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCN1CCCC2(CCN(C(=O)CCc3n[nH]c(C)c3C)C2)C1=O
InChIInChI=1S/C18H28N4O2/c1-4-21-10-5-8-18(17(21)24)9-11-22(12-18)16(23)7-6-15-13(2)14(3)19-20-15/h4-12H2,1-3H3,(H,19,20)
InChIKeyBLKQKRBZLCEHOL-UHFFFAOYSA-N
XLogP1.82
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24790910
1-(cyclohexylmethyl)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24818911
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56707907
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 56714649
N-[(1-cyclopentylpiperidin-3-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 56714725
2-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72912648
N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 84595015
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 110108975
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 118740051
(1R,5S)-3-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 155541680
6-(3,5-dimethyl-1H-pyrazol-4-yl)piperidin-2-one
CID 112488695
1-[3-(Pyrrolidine-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-5-YL]hexan-1-one
CID 46075105

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one (CID 72926411) is 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one is CCN1CCCC2(CCN(C(=O)CCc3n[nH]c(C)c3C)C2)C1=O.
What is the InChIKey of 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BLKQKRBZLCEHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-21-10-5-8-18(17(21)24)9-11-22(12-18)16(23)7-6-15-13(2)14(3)19-20-15/h4-12H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one?
2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 332.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-7-ethyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72926411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).