3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C12H11Br2N3O — CID 103908537

IUPAC3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cc(Br)cc(Br)c2)n1
InChIInChI=1S/C12H11Br2N3O/c1-17-3-2-11(16-17)7-15-12(18)8-4-9(13)6-10(14)5-8/h2-6H,7H2,1H3,(H,15,18)
InChIKeyDMZNYHLCYBDMKH-UHFFFAOYSA-N
MW373.05 g/mol
LogP2.88
Rot. Bonds3

About 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide

3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 103908537) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID103908537
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1ccc(CNC(=O)c2cc(Br)cc(Br)c2)n1
InChIInChI=1S/C12H11Br2N3O/c1-17-3-2-11(16-17)7-15-12(18)8-4-9(13)6-10(14)5-8/h2-6H,7H2,1H3,(H,15,18)
InChIKeyDMZNYHLCYBDMKH-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82874567
2-bromo-5-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872980
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330938
4-bromo-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19329213
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 103908537) is 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cn1ccc(CNC(=O)c2cc(Br)cc(Br)c2)n1.
What is the InChIKey of 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is DMZNYHLCYBDMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-17-3-2-11(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 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 373.05 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 103908537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).