3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide

C13H15BrN4O — CID 103004100

IUPAC3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1nccc1CCNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H15BrN4O/c1-18-10(5-7-17-18)4-6-16-13(19)9-2-3-11(14)12(15)8-9/h2-3,5,7-8H,4,6,15H2,1H3,(H,16,19)
InChIKeyZTCUXFFRKQNDDR-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.74
Rot. Bonds4

About 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide

3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 103004100) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID103004100
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1nccc1CCNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C13H15BrN4O/c1-18-10(5-7-17-18)4-6-16-13(19)9-2-3-11(14)12(15)8-9/h2-3,5,7-8H,4,6,15H2,1H3,(H,16,19)
InChIKeyZTCUXFFRKQNDDR-UHFFFAOYSA-N
XLogP1.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.74
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

3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
2-amino-6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104694768
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
4-amino-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 103004054
3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413272
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 61092321
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206
4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide
CID 103000982
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 104693703

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (CID 103004100) is 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is Cn1nccc1CCNC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is ZTCUXFFRKQNDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-18-10(5-7-17-18)4-6-16-13(19)9-2-3-11(14)12(15)8-9/h2-3,5,7-8H,4,6,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 323.19 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 103004100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).