N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide

C14H17BrN4O — CID 62057473

IUPACN-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C14H17BrN4O/c1-8-4-5-11(16)6-12(8)17-13(20)7-19-10(3)14(15)9(2)18-19/h4-6H,7,16H2,1-3H3,(H,17,20)
InChIKeyGQUMWNVQCFCELV-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.79
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide

N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 62057473) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID62057473
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC NameN-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)Cn1nc(C)c(Br)c1C
InChIInChI=1S/C14H17BrN4O/c1-8-4-5-11(16)6-12(8)17-13(20)7-19-10(3)14(15)9(2)18-19/h4-6H,7,16H2,1-3H3,(H,17,20)
InChIKeyGQUMWNVQCFCELV-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225538
N-(5-amino-2-fluorophenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62128370
N-(5-amino-2-methylphenyl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61225930
N-(5-amino-2-chlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61226125
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 19525429
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 19525702
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63769504
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-carbamothioylphenyl)acetamide
CID 62128720
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19525421
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide (CID 62057473) is N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide is Cc1ccc(N)cc1NC(=O)Cn1nc(C)c(Br)c1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is GQUMWNVQCFCELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-8-4-5-11(16)6-12(8)17-13(20)7-19-10(3)14(15)9(2)18-19/h4-6H,7,16H2,1-3H3,(H,17,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide?
N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 337.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 62057473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).