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

C17H22N4O2 — CID 22196298

IUPACN-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)Cc2cn(C)nc2C)cc1
InChIInChI=1S/C17H22N4O2/c1-12-15(10-21(4)19-12)9-20(3)11-17(23)18-16-7-5-14(6-8-16)13(2)22/h5-8,10H,9,11H2,1-4H3,(H,18,23)
InChIKeyBYLKHVKZQQPAMM-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.00
Rot. Bonds6

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

N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (PubChem CID 22196298) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
PubChem CID22196298
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN(C)Cc2cn(C)nc2C)cc1
InChIInChI=1S/C17H22N4O2/c1-12-15(10-21(4)19-12)9-20(3)11-17(23)18-16-7-5-14(6-8-16)13(2)22/h5-8,10H,9,11H2,1-4H3,(H,18,23)
InChIKeyBYLKHVKZQQPAMM-UHFFFAOYSA-N
XLogP2.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 22196270
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
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-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
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
N-(4-acetylphenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 9436790
2-[[2-(4-acetylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442578
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide
CID 8746036
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide (CID 22196298) is N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is CC(=O)c1ccc(NC(=O)CN(C)Cc2cn(C)nc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
The InChIKey is BYLKHVKZQQPAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-15(10-21(4)19-12)9-20(3)11-17(23)18-16-7-5-14(6-8-16)13(2)22/h5-8,10H,9,11H2,1-4H3,(H,18,23).
What are the key properties of N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide?
N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 22196298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).