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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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).