3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one

C17H28N4O — CID 138002858

IUPAC3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
SMILESCc1c(CCC(=O)N2CC3(CCNCC3)CC2C)cnn1C
InChIInChI=1S/C17H28N4O/c1-13-10-17(6-8-18-9-7-17)12-21(13)16(22)5-4-15-11-19-20(3)14(15)2/h11,13,18H,4-10,12H2,1-3H3
InChIKeyWYXPTKBQRUHHFB-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.65
Rot. Bonds3

About 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one

3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one (PubChem CID 138002858) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
PubChem CID138002858
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
SMILESCc1c(CCC(=O)N2CC3(CCNCC3)CC2C)cnn1C
InChIInChI=1S/C17H28N4O/c1-13-10-17(6-8-18-9-7-17)12-21(13)16(22)5-4-15-11-19-20(3)14(15)2/h11,13,18H,4-10,12H2,1-3H3
InChIKeyWYXPTKBQRUHHFB-UHFFFAOYSA-N
XLogP1.65
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-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

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)butan-1-one
CID 167935045
methyl 3-methyl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 83848926
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
3-(1,5-dimethylpyrazol-4-yl)-1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]propan-1-one
CID 138036923
1-[(3aR,6aS)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 110126599
3-(1,5-dimethylpyrazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]propan-1-one
CID 125001935
1-[3-(2,2-difluoroethyl)azetidin-1-yl]-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 138000791
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylpiperidine-4-carboxamide
CID 106047304
(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)-(1-methylindol-2-yl)methanone
CID 138004361
(3S)-2-[3-(4-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95717512
2-[(2R,5S)-5-(aminomethyl)-1-[3-(1,5-dimethylpyrazol-4-yl)propanoyl]pyrrolidin-2-yl]acetamide
CID 110134601
1-(4-benzoylpiperazin-1-yl)-3-(1,5-dimethylpyrazol-4-yl)propan-1-one
CID 138994571

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one (CID 138002858) is 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one is Cc1c(CCC(=O)N2CC3(CCNCC3)CC2C)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
The InChIKey is WYXPTKBQRUHHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-10-17(6-8-18-9-7-17)12-21(13)16(22)5-4-15-11-19-20(3)14(15)2/h11,13,18H,4-10,12H2,1-3H3.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one has a molecular weight of 304.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-1-(3-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one is sourced from PubChem (CID 138002858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).