2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide

C22H26N4O — CID 17496916

IUPAC2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)Cc2ccccc2C)n(-c2ccccc2C)n1
InChIInChI=1S/C22H26N4O/c1-16-9-5-7-11-19(16)14-25(4)15-22(27)23-21-13-18(3)24-26(21)20-12-8-6-10-17(20)2/h5-13H,14-15H2,1-4H3,(H,23,27)
InChIKeyNRVVFKWDSWWJFD-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.87
Rot. Bonds6

About 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide

2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 17496916) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID17496916
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)Cc2ccccc2C)n(-c2ccccc2C)n1
InChIInChI=1S/C22H26N4O/c1-16-9-5-7-11-19(16)14-25(4)15-22(27)23-21-13-18(3)24-26(21)20-12-8-6-10-17(20)2/h5-13H,14-15H2,1-4H3,(H,23,27)
InChIKeyNRVVFKWDSWWJFD-UHFFFAOYSA-N
XLogP3.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 63679280
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24664958
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
2-[methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 56814566
N-(2-ethylphenyl)-2-[methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]amino]acetamide
CID 8789331
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
ethyl 4-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]carbamoyl]piperazine-1-carboxylate
CID 72841399
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 9406717
N-(2,6-dimethylphenyl)-2-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]acetamide
CID 17498094
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
2-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 41236700

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide (CID 17496916) is 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide is Cc1cc(NC(=O)CN(C)Cc2ccccc2C)n(-c2ccccc2C)n1.
What is the InChIKey of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is NRVVFKWDSWWJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-9-5-7-11-19(16)14-25(4)15-22(27)23-21-13-18(3)24-26(21)20-12-8-6-10-17(20)2/h5-13H,14-15H2,1-4H3,(H,23,27).
What are the key properties of 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide?
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 17496916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).