2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H19BrN4O — CID 86908844

IUPAC2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Br)ccc1NCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C15H19BrN4O/c1-9-7-12(16)5-6-13(9)17-8-14(21)18-15-10(2)19-20(4)11(15)3/h5-7,17H,8H2,1-4H3,(H,18,21)
InChIKeyXXIGMMCLTGCHCH-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86908844) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86908844
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Br)ccc1NCC(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C15H19BrN4O/c1-9-7-12(16)5-6-13(9)17-8-14(21)18-15-10(2)19-20(4)11(15)3/h5-7,17H,8H2,1-4H3,(H,18,21)
InChIKeyXXIGMMCLTGCHCH-UHFFFAOYSA-N
XLogP3.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24665858
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7715455
N-(4-bromo-2-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]acetamide
CID 133313355
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 55405137
2-[3-(trifluoromethyl)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908675
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86908844) is 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cc(Br)ccc1NCC(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is XXIGMMCLTGCHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c1-9-7-12(16)5-6-13(9)17-8-14(21)18-15-10(2)19-20(4)11(15)3/h5-7,17H,8H2,1-4H3,(H,18,21).
What are the key properties of 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 351.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86908844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).