2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C19H32N4O2 — CID 45199584

IUPAC2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nc(C)c(CN2CCC3(CCCN(CCOC)C3=O)C2)c1C
InChIInChI=1S/C19H32N4O2/c1-5-23-16(3)17(15(2)20-23)13-21-10-8-19(14-21)7-6-9-22(18(19)24)11-12-25-4/h5-14H2,1-4H3
InChIKeyFKQZIYCBXBCBIY-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.98
Rot. Bonds6

About 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45199584) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45199584
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1nc(C)c(CN2CCC3(CCCN(CCOC)C3=O)C2)c1C
InChIInChI=1S/C19H32N4O2/c1-5-23-16(3)17(15(2)20-23)13-21-10-8-19(14-21)7-6-9-22(18(19)24)11-12-25-4/h5-14H2,1-4H3
InChIKeyFKQZIYCBXBCBIY-UHFFFAOYSA-N
XLogP1.98
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cycloheptyl-N-methyl-6-oxo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24793140
1-cycloheptyl-N-isopropyl-6-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24793825
7-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72863989
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72880511
7-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72890068
7-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72935780
3,3-Dimethyl-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 118740636
(1S*,3R*)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 56897650
(3R*,5R*)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72896570
3-[3-(3,5-Dimethylpyrazol-1-yl)propanoyl]-9-(2-methoxyethyl)-3,9-diazaspiro[5.6]dodecan-10-one
CID 124041997
1-(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71927852
2-(2-methoxyethyl)-9-[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72869207

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45199584) is 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCn1nc(C)c(CN2CCC3(CCCN(CCOC)C3=O)C2)c1C.
What is the InChIKey of 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FKQZIYCBXBCBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-23-16(3)17(15(2)20-23)13-21-10-8-19(14-21)7-6-9-22(18(19)24)11-12-25-4/h5-14H2,1-4H3.
What are the key properties of 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 348.49 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45199584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).