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

C12H11BrClN3O — CID 103826536

IUPAC3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-17-11(2-3-16-17)7-15-12(18)8-4-9(13)6-10(14)5-8/h2-6H,7H2,1H3,(H,15,18)
InChIKeyLHYMDOCJXGJKOX-UHFFFAOYSA-N
MW328.60 g/mol
LogP2.77
Rot. Bonds3

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

3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 103826536) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID103826536
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nccc1CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-17-11(2-3-16-17)7-15-12(18)8-4-9(13)6-10(14)5-8/h2-6H,7H2,1H3,(H,15,18)
InChIKeyLHYMDOCJXGJKOX-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3,5-dichloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 82794631
3,4,5-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55167887
3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 113345383
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
(3-bromo-5-chlorophenyl)-(2-methylpyrazol-3-yl)methanone
CID 107944480
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 62998781
4-bromo-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 55137906
4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 47466003
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304139
5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 36886831
4-bromo-N-[(2-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 63302297
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 103826536) is 3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cn1nccc1CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is LHYMDOCJXGJKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-17-11(2-3-16-17)7-15-12(18)8-4-9(13)6-10(14)5-8/h2-6H,7H2,1H3,(H,15,18).
What are the key properties of 3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 328.60 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 103826536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).