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

C17H13BrClN3O — CID 19403078

IUPAC4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H13BrClN3O/c18-14-6-4-13(5-7-14)17(23)20-16-8-9-22(21-16)11-12-2-1-3-15(19)10-12/h1-10H,11H2,(H,20,21,23)
InChIKeyKVZDUZPCSISZMC-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.60
Rot. Bonds4

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

4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19403078) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19403078
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC Name4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H13BrClN3O/c18-14-6-4-13(5-7-14)17(23)20-16-8-9-22(21-16)11-12-2-1-3-15(19)10-12/h1-10H,11H2,(H,20,21,23)
InChIKeyKVZDUZPCSISZMC-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400841
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 19406942
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
4-[(2-bromophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403091
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19508570
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475126
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 19403098
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19403194
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264337
4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285169

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19403078) is 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2cccc(Cl)c2)n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is KVZDUZPCSISZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-14-6-4-13(5-7-14)17(23)20-16-8-9-22(21-16)11-12-2-1-3-15(19)10-12/h1-10H,11H2,(H,20,21,23).
What are the key properties of 4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 390.67 g/mol, XLogP of 4.60, 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-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19403078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).