N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

C25H30N4O2 — CID 24640190

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCCc1ccc(C(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)N(C)C)cc1
InChIInChI=1S/C25H30N4O2/c1-6-19-12-14-20(15-13-19)22(28(4)5)16-26-25(31)24(30)23-17(2)27-29(18(23)3)21-10-8-7-9-11-21/h7-15,22H,6,16H2,1-5H3,(H,26,31)
InChIKeyLNFQRKOESQMRFR-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.65
Rot. Bonds8

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 24640190) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
PubChem CID24640190
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCCc1ccc(C(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)N(C)C)cc1
InChIInChI=1S/C25H30N4O2/c1-6-19-12-14-20(15-13-19)22(28(4)5)16-26-25(31)24(30)23-17(2)27-29(18(23)3)21-10-8-7-9-11-21/h7-15,22H,6,16H2,1-5H3,(H,26,31)
InChIKeyLNFQRKOESQMRFR-UHFFFAOYSA-N
XLogP3.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.65
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

N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 42939409
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 55695000
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 51150933
1-[(2-chlorophenyl)methyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 112764521
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 46592151
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-oxoacetamide
CID 30710069
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24550661
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-2-oxoacetamide
CID 18118227

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (CID 24640190) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is CCc1ccc(C(CNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The InChIKey is LNFQRKOESQMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-6-19-12-14-20(15-13-19)22(28(4)5)16-26-25(31)24(30)23-17(2)27-29(18(23)3)21-10-8-7-9-11-21/h7-15,22H,6,16H2,1-5H3,(H,26,31).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 418.54 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 24640190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).