2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide

C17H11BrN4O — CID 46107895

IUPAC2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide
SMILESN#Cc1ccc(-n2ccc(NC(=O)c3ccccc3Br)n2)cc1
InChIInChI=1S/C17H11BrN4O/c18-15-4-2-1-3-14(15)17(23)20-16-9-10-22(21-16)13-7-5-12(11-19)6-8-13/h1-10H,(H,20,21,23)
InChIKeySKODFJJDOXQHKN-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.76
Rot. Bonds3

About 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide

2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide (PubChem CID 46107895) has the molecular formula C17H11BrN4O and a molecular weight of 367.21 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide
PubChem CID46107895
Molecular FormulaC17H11BrN4O
Molecular Weight367.21 g/mol
Exact Mass366.01
IUPAC Name2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide
SMILESN#Cc1ccc(-n2ccc(NC(=O)c3ccccc3Br)n2)cc1
InChIInChI=1S/C17H11BrN4O/c18-15-4-2-1-3-14(15)17(23)20-16-9-10-22(21-16)13-7-5-12(11-19)6-8-13/h1-10H,(H,20,21,23)
InChIKeySKODFJJDOXQHKN-UHFFFAOYSA-N
XLogP3.76
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[5-(4-cyanoanilino)-2-pyridinyl]benzamide
CID 113037262
N-[1-[2-(aminomethyl)phenyl]pyrazol-3-yl]-2-bromobenzamide
CID 174774870
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283683
2-(2-phenoxyethoxy)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55536773
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
2,5-difluoro-N-(1-phenylpyrazol-3-yl)benzamide
CID 47021837
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
CID 154652808
CID 154652808
2-bromo-N-[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]benzamide
CID 46106953
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide (CID 46107895) is 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide is N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3Br)n2)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide?
The InChIKey is SKODFJJDOXQHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O/c18-15-4-2-1-3-14(15)17(23)20-16-9-10-22(21-16)13-7-5-12(11-19)6-8-13/h1-10H,(H,20,21,23).
What are the key properties of 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide?
2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide has a molecular weight of 367.21 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-cyanophenyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 46107895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).