2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one

C19H25N5O — CID 118746425

IUPAC2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H25N5O/c1-21-13-18(25)24(17-10-20-22(2)12-17)15-19(21)8-9-23(14-19)11-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11,13-15H2,1-2H3
InChIKeyDHQJASZGVXDVEK-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.34
Rot. Bonds3

About 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one

2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118746425) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118746425
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1ccccc1)C2
InChIInChI=1S/C19H25N5O/c1-21-13-18(25)24(17-10-20-22(2)12-17)15-19(21)8-9-23(14-19)11-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11,13-15H2,1-2H3
InChIKeyDHQJASZGVXDVEK-UHFFFAOYSA-N
XLogP1.34
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118746425) is 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is DHQJASZGVXDVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-21-13-18(25)24(17-10-20-22(2)12-17)15-19(21)8-9-23(14-19)11-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11,13-15H2,1-2H3.
What are the key properties of 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 339.44 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118746425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).