9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C17H27N3O2 — CID 72863989

IUPAC9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCCn1nc(C)c(CN2CC3(CCOC3)CCC2=O)c1C
InChIInChI=1S/C17H27N3O2/c1-4-8-20-14(3)15(13(2)18-20)10-19-11-17(6-5-16(19)21)7-9-22-12-17/h4-12H2,1-3H3
InChIKeyGNPLWPLUDJBGFN-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.44
Rot. Bonds4

About 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72863989) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72863989
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCCn1nc(C)c(CN2CC3(CCOC3)CCC2=O)c1C
InChIInChI=1S/C17H27N3O2/c1-4-8-20-14(3)15(13(2)18-20)10-19-11-17(6-5-16(19)21)7-9-22-12-17/h4-12H2,1-3H3
InChIKeyGNPLWPLUDJBGFN-UHFFFAOYSA-N
XLogP2.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[4-(2-methoxyethyl)piperidino]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 53150916
1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91922001
2-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1-[4-(oxolan-3-yl)piperidin-1-yl]ethanone
CID 132293514
2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45199584
N-isopropyl-1-(methoxymethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 50981835
1-(tetrahydrofuran-2-ylcarbonyl)-4-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]piperazine
CID 50985465
8-[(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-1-oxa-8-azaspiro[4.5]decane
CID 56866736
1-[2-acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91922125
1-{1-Methoxy-7-azaspiro[3.5]nonan-7-YL}-3-(1,3,5-trimethyl-1H-pyrazol-4-YL)propan-1-one
CID 124045363

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72863989) is 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is CCCn1nc(C)c(CN2CC3(CCOC3)CCC2=O)c1C.
What is the InChIKey of 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is GNPLWPLUDJBGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-8-20-14(3)15(13(2)18-20)10-19-11-17(6-5-16(19)21)7-9-22-12-17/h4-12H2,1-3H3.
What are the key properties of 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 305.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72863989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).