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

C13H15BrN4O — CID 43376162

IUPACN-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(N)cc2Br)n1
InChIInChI=1S/C13H15BrN4O/c1-8-5-9(2)18(17-8)7-13(19)16-12-4-3-10(15)6-11(12)14/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyMJFRSASLJYYWPT-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.48
Rot. Bonds3

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

N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 43376162) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID43376162
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC NameN-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(N)cc2Br)n1
InChIInChI=1S/C13H15BrN4O/c1-8-5-9(2)18(17-8)7-13(19)16-12-4-3-10(15)6-11(12)14/h3-6H,7,15H2,1-2H3,(H,16,19)
InChIKeyMJFRSASLJYYWPT-UHFFFAOYSA-N
XLogP2.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.48
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-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzamide
CID 110690082
N-(4-amino-2-bromophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 43376146
N-(2-amino-5-methoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63257950
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxybenzoic acid
CID 60827241
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
N-(2,6-dibromo-4-nitrophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525733
1-[2-(4-amino-2-bromoanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 64780088
N-(4-amino-2-bromophenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376194
N-(4-amino-2-bromophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64683209

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 43376162) is N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(N)cc2Br)n1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is MJFRSASLJYYWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-8-5-9(2)18(17-8)7-13(19)16-12-4-3-10(15)6-11(12)14/h3-6H,7,15H2,1-2H3,(H,16,19).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 323.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 43376162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).