2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide

C23H32N4O2 — CID 60568559

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C23H32N4O2/c1-16-10-9-13-26(14-16)23(4,5)15-24-22(29)21(28)20-17(2)25-27(18(20)3)19-11-7-6-8-12-19/h6-8,11-12,16H,9-10,13-15H2,1-5H3,(H,24,29)
InChIKeyWWCNOQZHEYFQBT-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.30
Rot. Bonds6

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide (PubChem CID 60568559) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide
PubChem CID60568559
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C)(C)N1CCCC(C)C1
InChIInChI=1S/C23H32N4O2/c1-16-10-9-13-26(14-16)23(4,5)15-24-22(29)21(28)20-17(2)25-27(18(20)3)19-11-7-6-8-12-19/h6-8,11-12,16H,9-10,13-15H2,1-5H3,(H,24,29)
InChIKeyWWCNOQZHEYFQBT-UHFFFAOYSA-N
XLogP3.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 18160313
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55637109
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550661
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 55695000
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-N-propylpiperidine-3-carboxamide
CID 49401979
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60568818
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 55326454
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione
CID 27661508

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide (CID 60568559) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(C)(C)N1CCCC(C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide?
The InChIKey is WWCNOQZHEYFQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16-10-9-13-26(14-16)23(4,5)15-24-22(29)21(28)20-17(2)25-27(18(20)3)19-11-7-6-8-12-19/h6-8,11-12,16H,9-10,13-15H2,1-5H3,(H,24,29).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide has a molecular weight of 396.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2-oxoacetamide is sourced from PubChem (CID 60568559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).