3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide

C13H15BrN4O — CID 107872526

IUPAC3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NCCn1cccn1
InChIInChI=1S/C13H15BrN4O/c1-9-11(7-10(14)8-12(9)15)13(19)16-4-6-18-5-2-3-17-18/h2-3,5,7-8H,4,6,15H2,1H3,(H,16,19)
InChIKeyWDZHTPAMVKAQEB-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.97
Rot. Bonds4

About 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide

3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 107872526) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID107872526
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NCCn1cccn1
InChIInChI=1S/C13H15BrN4O/c1-9-11(7-10(14)8-12(9)15)13(19)16-4-6-18-5-2-3-17-18/h2-3,5,7-8H,4,6,15H2,1H3,(H,16,19)
InChIKeyWDZHTPAMVKAQEB-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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

2-amino-5-bromo-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 62186174
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 114379310
3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 107872306
5-amino-2-chloro-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 114089447
5-bromo-1-methyl-2-oxo-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 138028075
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
3-amino-5-bromo-N-(3-ethoxypropyl)-2-methylbenzamide
CID 114011315
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
6-methyl-4-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81240692
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide (CID 107872526) is 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide is Cc1c(N)cc(Br)cc1C(=O)NCCn1cccn1.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is WDZHTPAMVKAQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-9-11(7-10(14)8-12(9)15)13(19)16-4-6-18-5-2-3-17-18/h2-3,5,7-8H,4,6,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide?
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 323.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 107872526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).