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

C17H13BrClN3O — CID 55628846

IUPAC4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C17H13BrClN3O/c18-14-10-21-22(11-14)16-6-4-13(5-7-16)17(23)20-9-12-2-1-3-15(19)8-12/h1-8,10-11H,9H2,(H,20,23)
InChIKeyPLQALGJIUSOEAU-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.22
Rot. Bonds4

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

4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide (PubChem CID 55628846) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
PubChem CID55628846
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C17H13BrClN3O/c18-14-10-21-22(11-14)16-6-4-13(5-7-16)17(23)20-9-12-2-1-3-15(19)8-12/h1-8,10-11H,9H2,(H,20,23)
InChIKeyPLQALGJIUSOEAU-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

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Related Compounds

1-(4-bromophenyl)-N-[(3-bromophenyl)methyl]pyrazole-4-carboxamide
CID 50772799
N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55602278
1-(4-bromophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55851572
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
N-[(3-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134799823
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
1-(4-chlorophenyl)-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 78888339
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
2-[4-(aminomethyl)pyrazol-1-yl]-N-[(3-chlorophenyl)methyl]benzamide
CID 110121771
N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide (CID 55628846) is 4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide is O=C(NCc1cccc(Cl)c1)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide?
The InChIKey is PLQALGJIUSOEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-14-10-21-22(11-14)16-6-4-13(5-7-16)17(23)20-9-12-2-1-3-15(19)8-12/h1-8,10-11H,9H2,(H,20,23).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide?
4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)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 4-(4-bromopyrazol-1-yl)-N-[(3-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 55628846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).