N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide

C21H22N4O2 — CID 78798770

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-6-4-7-16(2)20(15)23-19(26)14-24(3)21(27)17-8-10-18(11-9-17)25-13-5-12-22-25/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyGXOHQUNFRCGHNT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide (PubChem CID 78798770) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide
PubChem CID78798770
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-6-4-7-16(2)20(15)23-19(26)14-24(3)21(27)17-8-10-18(11-9-17)25-13-5-12-22-25/h4-13H,14H2,1-3H3,(H,23,26)
InChIKeyGXOHQUNFRCGHNT-UHFFFAOYSA-N
XLogP3.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-(5-methylpyrazol-1-yl)benzamide
CID 9426110
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 9476165
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 27788219
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 51192443
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 31936113
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
CID 9437901
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 9490663
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 9011392
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 27788275
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918606
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-ethyl-N,3-dimethyl-2-oxoquinoxaline-6-carboxamide
CID 31931542

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide (CID 78798770) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide?
The InChIKey is GXOHQUNFRCGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-6-4-7-16(2)20(15)23-19(26)14-24(3)21(27)17-8-10-18(11-9-17)25-13-5-12-22-25/h4-13H,14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 78798770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).