N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide

C13H13BrClN3O — CID 19322995

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H13BrClN3O/c1-2-18-12(10(14)7-17-18)8-16-13(19)9-5-3-4-6-11(9)15/h3-7H,2,8H2,1H3,(H,16,19)
InChIKeyZEHCFHZLXGZJKK-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide (PubChem CID 19322995) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
PubChem CID19322995
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccccc1Cl
InChIInChI=1S/C13H13BrClN3O/c1-2-18-12(10(14)7-17-18)8-16-13(19)9-5-3-4-6-11(9)15/h3-7H,2,8H2,1H3,(H,16,19)
InChIKeyZEHCFHZLXGZJKK-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide
CID 19323151
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-nitrobenzamide
CID 19296653
2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
CID 19296874
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513750
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19323020
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 19323161
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19323046
4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480556
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281732
2-[4-[(4-bromo-1-ethylpyrazol-5-yl)methylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500739
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide (CID 19322995) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide is CCn1ncc(Br)c1CNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide?
The InChIKey is ZEHCFHZLXGZJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-2-18-12(10(14)7-17-18)8-16-13(19)9-5-3-4-6-11(9)15/h3-7H,2,8H2,1H3,(H,16,19).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide has a molecular weight of 342.62 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide is sourced from PubChem (CID 19322995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).