2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide

C16H22N4O — CID 115989605

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCCc1nn(C)cc1CNCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H22N4O/c1-4-15-13(11-20(3)19-15)9-17-10-16(21)18-14-7-5-12(2)6-8-14/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyLLLULSUKRKFTKF-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.02
Rot. Bonds6

About 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 115989605) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
PubChem CID115989605
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCCc1nn(C)cc1CNCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H22N4O/c1-4-15-13(11-20(3)19-15)9-17-10-16(21)18-14-7-5-12(2)6-8-14/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyLLLULSUKRKFTKF-UHFFFAOYSA-N
XLogP2.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-methylphenyl)acetamide
CID 115989687
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989744
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-fluorophenyl)acetamide
CID 115885607
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(4-methylphenyl)acetamide
CID 107462786
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 112549530
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-4-methylphenol
CID 112550131
1-[4-(aminomethyl)phenyl]-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115991069
(E)-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]but-2-enoic acid
CID 103262659
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
ethyl 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
CID 112668881
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide (CID 115989605) is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide is CCc1nn(C)cc1CNCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is LLLULSUKRKFTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-15-13(11-20(3)19-15)9-17-10-16(21)18-14-7-5-12(2)6-8-14/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,21).
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide?
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 115989605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).