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

C23H26N4O2 — CID 51273944

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C23H26N4O2/c1-16-21(17(2)27(25-16)19-13-9-6-10-14-19)22(28)23(29)24-15-20(26(3)4)18-11-7-5-8-12-18/h5-14,20H,15H2,1-4H3,(H,24,29)
InChIKeyUAMCQBDPDUIUJF-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.09
Rot. Bonds7

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

N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (PubChem CID 51273944) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
PubChem CID51273944
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C23H26N4O2/c1-16-21(17(2)27(25-16)19-13-9-6-10-14-19)22(28)23(29)24-15-20(26(3)4)18-11-7-5-8-12-18/h5-14,20H,15H2,1-4H3,(H,24,29)
InChIKeyUAMCQBDPDUIUJF-UHFFFAOYSA-N
XLogP3.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.09
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-(4-ethylphenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 24640190
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 42939409
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 51150933
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 55695000
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 46592151
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
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-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(oxolan-2-ylmethyl)acetamide
CID 18160313
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356434
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide
CID 86825790
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-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide (CID 51273944) is N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
The InChIKey is UAMCQBDPDUIUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-21(17(2)27(25-16)19-13-9-6-10-14-19)22(28)23(29)24-15-20(26(3)4)18-11-7-5-8-12-18/h5-14,20H,15H2,1-4H3,(H,24,29).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide has a molecular weight of 390.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide is sourced from PubChem (CID 51273944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).