4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

C18H16BrN3O — CID 19400841

IUPAC4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C18H16BrN3O/c1-13-3-2-4-14(11-13)12-22-10-9-17(21-22)20-18(23)15-5-7-16(19)8-6-15/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyOESIYWDWJPXINM-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.25
Rot. Bonds4

About 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide

4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19400841) has the molecular formula C18H16BrN3O and a molecular weight of 370.25 g/mol. Its IUPAC name is 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19400841
Molecular FormulaC18H16BrN3O
Molecular Weight370.25 g/mol
Exact Mass369.05
IUPAC Name4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
SMILESCc1cccc(Cn2ccc(NC(=O)c3ccc(Br)cc3)n2)c1
InChIInChI=1S/C18H16BrN3O/c1-13-3-2-4-14(11-13)12-22-10-9-17(21-22)20-18(23)15-5-7-16(19)8-6-15/h2-11H,12H2,1H3,(H,20,21,23)
InChIKeyOESIYWDWJPXINM-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400996
1,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19279717
1,3,5-trimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19281654
3-[(2,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400976
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284667
2,4-dimethoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400990
5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440727
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide (CID 19400841) is 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is Cc1cccc(Cn2ccc(NC(=O)c3ccc(Br)cc3)n2)c1.
What is the InChIKey of 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is OESIYWDWJPXINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O/c1-13-3-2-4-14(11-13)12-22-10-9-17(21-22)20-18(23)15-5-7-16(19)8-6-15/h2-11H,12H2,1H3,(H,20,21,23).
What are the key properties of 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide?
4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 370.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19400841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).