1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine

C17H26N6O — CID 155957081

IUPAC1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine
SMILESCN1CC(NCc2cn[nH]c2-c2ccn(C)n2)CC12CCOCC2
InChIInChI=1S/C17H26N6O/c1-22-12-14(9-17(22)4-7-24-8-5-17)18-10-13-11-19-20-16(13)15-3-6-23(2)21-15/h3,6,11,14,18H,4-5,7-10,12H2,1-2H3,(H,19,20)
InChIKeyFSKCGBJGXVONBG-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.15
Rot. Bonds4

About 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine

1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine (PubChem CID 155957081) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine
PubChem CID155957081
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine
SMILESCN1CC(NCc2cn[nH]c2-c2ccn(C)n2)CC12CCOCC2
InChIInChI=1S/C17H26N6O/c1-22-12-14(9-17(22)4-7-24-8-5-17)18-10-13-11-19-20-16(13)15-3-6-23(2)21-15/h3,6,11,14,18H,4-5,7-10,12H2,1-2H3,(H,19,20)
InChIKeyFSKCGBJGXVONBG-UHFFFAOYSA-N
XLogP1.15
TPSA71.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine?
The IUPAC name of 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine (CID 155957081) is 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine is CN1CC(NCc2cn[nH]c2-c2ccn(C)n2)CC12CCOCC2.
What is the InChIKey of 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine?
The InChIKey is FSKCGBJGXVONBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-22-12-14(9-17(22)4-7-24-8-5-17)18-10-13-11-19-20-16(13)15-3-6-23(2)21-15/h3,6,11,14,18H,4-5,7-10,12H2,1-2H3,(H,19,20).
What are the key properties of 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine?
1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine has a molecular weight of 330.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[5-(1-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]-8-oxa-1-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 155957081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).