N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

C16H22N4O — CID 22196125

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2cnn(C)c2)c1C
InChIInChI=1S/C16H22N4O/c1-12-6-5-7-15(13(12)2)18-16(21)11-19(3)9-14-8-17-20(4)10-14/h5-8,10H,9,11H2,1-4H3,(H,18,21)
InChIKeySYVWKDVGMWDTAK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.11
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 22196125) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID22196125
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)Cc2cnn(C)c2)c1C
InChIInChI=1S/C16H22N4O/c1-12-6-5-7-15(13(12)2)18-16(21)11-19(3)9-14-8-17-20(4)10-14/h5-8,10H,9,11H2,1-4H3,(H,18,21)
InChIKeySYVWKDVGMWDTAK-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

N-(2,3-dichlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196117
N-(2-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438617
N-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196148
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114
N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438483
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
ethyl 4-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]benzoate
CID 22196150
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196163
N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446
N-(2,6-dimethylphenyl)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 17416541

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (CID 22196125) is N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is Cc1cccc(NC(=O)CN(C)Cc2cnn(C)c2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is SYVWKDVGMWDTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-6-5-7-15(13(12)2)18-16(21)11-19(3)9-14-8-17-20(4)10-14/h5-8,10H,9,11H2,1-4H3,(H,18,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]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 N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 22196125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).