2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C21H34N4O2 — CID 72899245

IUPAC2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)Cc1cc(CN2CCC3(CCCN(C4CCOCC4)C3=O)C2)[nH]n1
InChIInChI=1S/C21H34N4O2/c1-16(2)12-17-13-18(23-22-17)14-24-9-7-21(15-24)6-3-8-25(20(21)26)19-4-10-27-11-5-19/h13,16,19H,3-12,14-15H2,1-2H3,(H,22,23)
InChIKeyLCSIEWRMDGFSJV-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.60
Rot. Bonds5

About 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72899245) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72899245
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCC(C)Cc1cc(CN2CCC3(CCCN(C4CCOCC4)C3=O)C2)[nH]n1
InChIInChI=1S/C21H34N4O2/c1-16(2)12-17-13-18(23-22-17)14-24-9-7-21(15-24)6-3-8-25(20(21)26)19-4-10-27-11-5-19/h13,16,19H,3-12,14-15H2,1-2H3,(H,22,23)
InChIKeyLCSIEWRMDGFSJV-UHFFFAOYSA-N
XLogP2.60
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72899245) is 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is CC(C)Cc1cc(CN2CCC3(CCCN(C4CCOCC4)C3=O)C2)[nH]n1.
What is the InChIKey of 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is LCSIEWRMDGFSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-16(2)12-17-13-18(23-22-17)14-24-9-7-21(15-24)6-3-8-25(20(21)26)19-4-10-27-11-5-19/h13,16,19H,3-12,14-15H2,1-2H3,(H,22,23).
What are the key properties of 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.53 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72899245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).