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

C15H20N4O — CID 115989744

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCc2cn(C)nc2C)cc1
InChIInChI=1S/C15H20N4O/c1-11-4-6-14(7-5-11)17-15(20)9-16-8-13-10-19(3)18-12(13)2/h4-7,10,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyFQSALSBAZMUTKG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.77
Rot. Bonds5

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

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 115989744) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
PubChem CID115989744
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCc2cn(C)nc2C)cc1
InChIInChI=1S/C15H20N4O/c1-11-4-6-14(7-5-11)17-15(20)9-16-8-13-10-19(3)18-12(13)2/h4-7,10,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyFQSALSBAZMUTKG-UHFFFAOYSA-N
XLogP1.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989605
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 22196270
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 112705231
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide
CID 115768047
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-methylphenyl)acetamide
CID 115989687
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(4-methylphenyl)acetamide
CID 107462786
trans-(1R,2R)-2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoylamino]phenyl]cyclopropane-1-carboxylic acid
CID 154806159
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide (CID 115989744) is 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNCc2cn(C)nc2C)cc1.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is FQSALSBAZMUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-4-6-14(7-5-11)17-15(20)9-16-8-13-10-19(3)18-12(13)2/h4-7,10,16H,8-9H2,1-3H3,(H,17,20).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide?
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 115989744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).