5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

C17H13BrClN3O — CID 134036052

IUPAC5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H13BrClN3O/c18-13-6-7-16(19)15(8-13)17(23)20-9-12-10-21-22(11-12)14-4-2-1-3-5-14/h1-8,10-11H,9H2,(H,20,23)
InChIKeyNKFLJKFOHZJNGE-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.22
Rot. Bonds4

About 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 134036052) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID134036052
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC Name5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H13BrClN3O/c18-13-6-7-16(19)15(8-13)17(23)20-9-12-10-21-22(11-12)14-4-2-1-3-5-14/h1-8,10-11H,9H2,(H,20,23)
InChIKeyNKFLJKFOHZJNGE-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
2,3,5-trichloro-6-hydroxy-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112821059
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813462
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 37340334
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 134036052) is 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is O=C(NCc1cnn(-c2ccccc2)c1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is NKFLJKFOHZJNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-13-6-7-16(19)15(8-13)17(23)20-9-12-10-21-22(11-12)14-4-2-1-3-5-14/h1-8,10-11H,9H2,(H,20,23).
What are the key properties of 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 390.67 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 134036052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).