4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide

C17H13BrFN3O — CID 993965

IUPAC4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C17H13BrFN3O/c18-14-9-20-22(11-14)10-12-5-7-13(8-6-12)17(23)21-16-4-2-1-3-15(16)19/h1-9,11H,10H2,(H,21,23)
InChIKeyQTBVGKIBHLMZHL-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.09
Rot. Bonds4

About 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide

4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide (PubChem CID 993965) has the molecular formula C17H13BrFN3O and a molecular weight of 374.21 g/mol. Its IUPAC name is 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
PubChem CID993965
Molecular FormulaC17H13BrFN3O
Molecular Weight374.21 g/mol
Exact Mass373.02
IUPAC Name4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C17H13BrFN3O/c18-14-9-20-22(11-14)10-12-5-7-13(8-6-12)17(23)21-16-4-2-1-3-15(16)19/h1-9,11H,10H2,(H,21,23)
InChIKeyQTBVGKIBHLMZHL-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.09
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)methyl]-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide (CID 993965) is 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide is O=C(Nc1ccccc1F)c1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide?
The InChIKey is QTBVGKIBHLMZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O/c18-14-9-20-22(11-14)10-12-5-7-13(8-6-12)17(23)21-16-4-2-1-3-15(16)19/h1-9,11H,10H2,(H,21,23).
What are the key properties of 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide?
4-[(4-bromopyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide has a molecular weight of 374.21 g/mol, XLogP of 4.09, 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)methyl]-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 993965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).