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

C13H14BrN3O — CID 113460821

IUPAC3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(Br)cc(C(=O)NCc2ccn(C)n2)c1
InChIInChI=1S/C13H14BrN3O/c1-9-5-10(7-11(14)6-9)13(18)15-8-12-3-4-17(2)16-12/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyWIVXNMUVZPUZQH-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.42
Rot. Bonds3

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

3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 113460821) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID113460821
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(Br)cc(C(=O)NCc2ccn(C)n2)c1
InChIInChI=1S/C13H14BrN3O/c1-9-5-10(7-11(14)6-9)13(18)15-8-12-3-4-17(2)16-12/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeyWIVXNMUVZPUZQH-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
2-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872826
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
N-[(1-methylpyrazol-3-yl)methyl]-2-(2,4,6-trimethylphenyl)acetamide
CID 122159302
4-methyl-N-[2-[(1-methylpyrazol-3-yl)methylamino]-2-oxoethyl]benzamide
CID 146124161
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306
3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931
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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 113460821) is 3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cc1cc(Br)cc(C(=O)NCc2ccn(C)n2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is WIVXNMUVZPUZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-9-5-10(7-11(14)6-9)13(18)15-8-12-3-4-17(2)16-12/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of 3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 308.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 113460821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).