2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide

C14H17BrN4O — CID 115989913

IUPAC2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCc1nn(C)cc1CNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H17BrN4O/c1-3-13-9(8-19(2)18-13)7-17-14(20)11-5-4-10(15)6-12(11)16/h4-6,8H,3,7,16H2,1-2H3,(H,17,20)
InChIKeyLNOISVXZJDZVGZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.26
Rot. Bonds4

About 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide

2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 115989913) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID115989913
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCc1nn(C)cc1CNC(=O)c1ccc(Br)cc1N
InChIInChI=1S/C14H17BrN4O/c1-3-13-9(8-19(2)18-13)7-17-14(20)11-5-4-10(15)6-12(11)16/h4-6,8H,3,7,16H2,1-2H3,(H,17,20)
InChIKeyLNOISVXZJDZVGZ-UHFFFAOYSA-N
XLogP2.26
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.26
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-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
CID 115988916
2-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 115988870
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
2,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 103898822
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 105387234
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylthiophene-2-carboxamide
CID 112550092
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 112671937
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide (CID 115989913) is 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide is CCc1nn(C)cc1CNC(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is LNOISVXZJDZVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-3-13-9(8-19(2)18-13)7-17-14(20)11-5-4-10(15)6-12(11)16/h4-6,8H,3,7,16H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 337.22 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 115989913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).