2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide

C16H22N4O — CID 22196270

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cn(C)nc2C)cc1
InChIInChI=1S/C16H22N4O/c1-12-5-7-15(8-6-12)17-16(21)11-19(3)9-14-10-20(4)18-13(14)2/h5-8,10H,9,11H2,1-4H3,(H,17,21)
InChIKeyRWYNZZGBLQOTBH-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.11
Rot. Bonds5

About 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide

2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 22196270) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID22196270
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)Cc2cn(C)nc2C)cc1
InChIInChI=1S/C16H22N4O/c1-12-5-7-15(8-6-12)17-16(21)11-19(3)9-14-10-20(4)18-13(14)2/h5-8,10H,9,11H2,1-4H3,(H,17,21)
InChIKeyRWYNZZGBLQOTBH-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196298
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989744
N-(5-chloro-2-pyridinyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196345
N-(2,4-difluorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196330
N-cyclopropyl-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196347
N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196315
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea
CID 35520705
2-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 126838107
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide (CID 22196270) is 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)Cc2cn(C)nc2C)cc1.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is RWYNZZGBLQOTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-7-15(8-6-12)17-16(21)11-19(3)9-14-10-20(4)18-13(14)2/h5-8,10H,9,11H2,1-4H3,(H,17,21).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 22196270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).