N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide

C21H22N4O2 — CID 51275540

IUPACN-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C21H22N4O2/c1-14-9-7-8-12-18(14)21(27)22-13-19(26)23-20-15(2)24-25(16(20)3)17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyXXNPUGOHMWAFCW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.17
Rot. Bonds5

About N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide

N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 51275540) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
PubChem CID51275540
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C21H22N4O2/c1-14-9-7-8-12-18(14)21(27)22-13-19(26)23-20-15(2)24-25(16(20)3)17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyXXNPUGOHMWAFCW-UHFFFAOYSA-N
XLogP3.17
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-chlorobenzoate
CID 7775838
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide
CID 39912340
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 110935836
2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826187
4-O-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239640
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide (CID 51275540) is N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)Nc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is XXNPUGOHMWAFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-9-7-8-12-18(14)21(27)22-13-19(26)23-20-15(2)24-25(16(20)3)17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 51275540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).