8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one

C21H37N5O — CID 118688357

IUPAC8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CC(=O)N(CC(C)C)C2
InChIInChI=1S/C21H37N5O/c1-16(2)13-26-15-21(11-19(26)27)7-5-17(6-8-21)20-18(12-23-24-20)14-25(4)10-9-22-3/h12,16-17,22H,5-11,13-15H2,1-4H3,(H,23,24)
InChIKeyJYCHEQAWQIIHML-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.59
Rot. Bonds8

About 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one

8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one (PubChem CID 118688357) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
PubChem CID118688357
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CC(=O)N(CC(C)C)C2
InChIInChI=1S/C21H37N5O/c1-16(2)13-26-15-21(11-19(26)27)7-5-17(6-8-21)20-18(12-23-24-20)14-25(4)10-9-22-3/h12,16-17,22H,5-11,13-15H2,1-4H3,(H,23,24)
InChIKeyJYCHEQAWQIIHML-UHFFFAOYSA-N
XLogP2.59
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118688387
N,N'-dimethyl-N'-[(5-spiro[5.5]undecan-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118685676
4-[(3R)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 138517306
3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 118688358
N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685683
N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685680
2-benzyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-azaspiro[4.5]decan-1-one
CID 118688383
3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1-[[8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1-oxo-2-azaspiro[4.5]decan-2-yl]methyl]pyrazol-3-yl]-1-(2-methylpropyl)-1,3-diazaspiro[4.5]decan-2-one
CID 123629255
(5R)-1-benzyl-5-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]piperidin-2-one
CID 155130038
(2S,5R)-2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]spiro[5.5]undecan-5-ol
CID 118674247
N'-[[5-[4-(methoxymethyl)-4-(oxan-4-yloxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 118971580
4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 90460684

Frequently Asked Questions

What is the IUPAC name of 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one (CID 118688357) is 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one is CNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)CC(=O)N(CC(C)C)C2.
What is the InChIKey of 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is JYCHEQAWQIIHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-16(2)13-26-15-21(11-19(26)27)7-5-17(6-8-21)20-18(12-23-24-20)14-25(4)10-9-22-3/h12,16-17,22H,5-11,13-15H2,1-4H3,(H,23,24).
What are the key properties of 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one?
8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 375.56 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-2-(2-methylpropyl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 118688357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).