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

C15H20N4O — CID 17378441

IUPAC2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
SMILESCc1nn(C)cc1CN(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H20N4O/c1-12-13(10-19(3)17-12)9-18(2)11-15(20)16-14-7-5-4-6-8-14/h4-8,10H,9,11H2,1-3H3,(H,16,20)
InChIKeyAAFLMMFIEPHJJH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.80
Rot. Bonds5

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

2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide (PubChem CID 17378441) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
PubChem CID17378441
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
SMILESCc1nn(C)cc1CN(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H20N4O/c1-12-13(10-19(3)17-12)9-18(2)11-15(20)16-14-7-5-4-6-8-14/h4-8,10H,9,11H2,1-3H3,(H,16,20)
InChIKeyAAFLMMFIEPHJJH-UHFFFAOYSA-N
XLogP1.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 22196270
N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196298
N-(1,3-benzothiazol-2-yl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196315
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
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
CID 102805405
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-phenylpropanamide
CID 115767897
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989744
1-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)urea
CID 35520705
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
methyl 2-[[2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 22196241
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide (CID 17378441) is 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide is Cc1nn(C)cc1CN(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide?
The InChIKey is AAFLMMFIEPHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-13(10-19(3)17-12)9-18(2)11-15(20)16-14-7-5-4-6-8-14/h4-8,10H,9,11H2,1-3H3,(H,16,20).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide?
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide has a molecular weight of 272.35 g/mol, XLogP of 1.80, 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-phenylacetamide is sourced from PubChem (CID 17378441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).