2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide

C14H17BrN4O — CID 107574153

IUPAC2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCc1cc(NC(=O)C(N)c2cnn(C)c2)cc(C)c1Br
InChIInChI=1S/C14H17BrN4O/c1-8-4-11(5-9(2)12(8)15)18-14(20)13(16)10-6-17-19(3)7-10/h4-7,13H,16H2,1-3H3,(H,18,20)
InChIKeyXQJZXDTVEVQOKQ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.44
Rot. Bonds3

About 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 107574153) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID107574153
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCc1cc(NC(=O)C(N)c2cnn(C)c2)cc(C)c1Br
InChIInChI=1S/C14H17BrN4O/c1-8-4-11(5-9(2)12(8)15)18-14(20)13(16)10-6-17-19(3)7-10/h4-7,13H,16H2,1-3H3,(H,18,20)
InChIKeyXQJZXDTVEVQOKQ-UHFFFAOYSA-N
XLogP2.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.44
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-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289637
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83167255
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289607
2-amino-N-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 114254664
2-amino-N-(3-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 113279787
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 115290303
2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
CID 115289913
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678
2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289593
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 107574153) is 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide is Cc1cc(NC(=O)C(N)c2cnn(C)c2)cc(C)c1Br.
What is the InChIKey of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is XQJZXDTVEVQOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-8-4-11(5-9(2)12(8)15)18-14(20)13(16)10-6-17-19(3)7-10/h4-7,13H,16H2,1-3H3,(H,18,20).
What are the key properties of 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 337.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 107574153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).