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

C14H15BrClN3O — CID 115887129

IUPAC5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H15BrClN3O/c1-3-13-9(8-19(2)18-13)7-17-14(20)11-6-10(15)4-5-12(11)16/h4-6,8H,3,7H2,1-2H3,(H,17,20)
InChIKeySDEAAQDTKPWYDG-UHFFFAOYSA-N
MW356.65 g/mol
LogP3.33
Rot. Bonds4

About 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide

5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 115887129) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID115887129
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
SMILESCCc1nn(C)cc1CNC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H15BrClN3O/c1-3-13-9(8-19(2)18-13)7-17-14(20)11-6-10(15)4-5-12(11)16/h4-6,8H,3,7H2,1-2H3,(H,17,20)
InChIKeySDEAAQDTKPWYDG-UHFFFAOYSA-N
XLogP3.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115989913
2-amino-4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115988889
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]-5-methylbenzamide
CID 115988916
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206
5,6-dichloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 115888256
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]-3-hydroxypyridine-4-carboxamide
CID 112550399
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylthiophene-2-carboxamide
CID 112550092
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide (CID 115887129) is 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide is CCc1nn(C)cc1CNC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is SDEAAQDTKPWYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-3-13-9(8-19(2)18-13)7-17-14(20)11-6-10(15)4-5-12(11)16/h4-6,8H,3,7H2,1-2H3,(H,17,20).
What are the key properties of 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide?
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 356.65 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 115887129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).