2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide

C14H18N4O — CID 115289607

IUPAC2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)C(N)c2cnn(C)c2)c1
InChIInChI=1S/C14H18N4O/c1-9-4-5-10(2)12(6-9)17-14(19)13(15)11-7-16-18(3)8-11/h4-8,13H,15H2,1-3H3,(H,17,19)
InChIKeySKAJVUOJYKOXED-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.68
Rot. Bonds3

About 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289607) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289607
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)C(N)c2cnn(C)c2)c1
InChIInChI=1S/C14H18N4O/c1-9-4-5-10(2)12(6-9)17-14(19)13(15)11-7-16-18(3)8-11/h4-8,13H,15H2,1-3H3,(H,17,19)
InChIKeySKAJVUOJYKOXED-UHFFFAOYSA-N
XLogP1.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107574153
2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289593
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291021
2-amino-N-(4-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83166938
2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107594967
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83167255
methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]benzoate
CID 115289802
2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290057
2-amino-1-(3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604908
2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289637

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115289607) is 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide is Cc1ccc(C)c(NC(=O)C(N)c2cnn(C)c2)c1.
What is the InChIKey of 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is SKAJVUOJYKOXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-4-5-10(2)12(6-9)17-14(19)13(15)11-7-16-18(3)8-11/h4-8,13H,15H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).