N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 41325009) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name	N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID	41325009
Molecular Formula	C24H31N5O3
Molecular Weight	437.54 g/mol
Exact Mass	437.24
IUPAC Name	N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILES	Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
InChI	InChI=1S/C24H31N5O3/c1-16-9-7-8-12-24(16)22(31)28(23(32)26-24)15-21(30)25-13-20-17(2)27-29(18(20)3)14-19-10-5-4-6-11-19/h4-6,10-11,16H,7-9,12-15H2,1-3H3,(H,25,30)(H,26,32)/t16-,24-/m0/s1
InChIKey	VJWCLNCIZKGPQW-FYSMJZIKSA-N
XLogP	2.67
TPSA	96.33 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 41325009) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O.

What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is VJWCLNCIZKGPQW-FYSMJZIKSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16-9-7-8-12-24(16)22(31)28(23(32)26-24)15-21(30)25-13-20-17(2)27-29(18(20)3)14-19-10-5-4-6-11-19/h4-6,10-11,16H,7-9,12-15H2,1-3H3,(H,25,30)(H,26,32)/t16-,24-/m0/s1.

What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 437.54 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 41325009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).