5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide

C15H10BrClN4O — CID 30887095

IUPAC5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1-n1cccn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN4O/c16-10-4-5-12(17)11(9-10)15(22)20-13-3-1-6-18-14(13)21-8-2-7-19-21/h1-9H,(H,20,22)
InChIKeyVLDSKTUXEPPRBJ-UHFFFAOYSA-N
MW377.63 g/mol
LogP3.94
Rot. Bonds3

About 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide

5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide (PubChem CID 30887095) has the molecular formula C15H10BrClN4O and a molecular weight of 377.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
PubChem CID30887095
Molecular FormulaC15H10BrClN4O
Molecular Weight377.63 g/mol
Exact Mass375.97
IUPAC Name5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1-n1cccn1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN4O/c16-10-4-5-12(17)11(9-10)15(22)20-13-3-1-6-18-14(13)21-8-2-7-19-21/h1-9H,(H,20,22)
InChIKeyVLDSKTUXEPPRBJ-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.63
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 62952714
2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884817
5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
CID 72717793
2-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884704
5-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 103817139
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
5-bromo-2-chloro-N-(2-ethoxy-3-pyridinyl)benzamide
CID 34958257
2-chloro-5-methylsulfanyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 47084179
5-bromo-2-chloro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 25332846
6-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258857

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide (CID 30887095) is 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide is O=C(Nc1cccnc1-n1cccn1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
The InChIKey is VLDSKTUXEPPRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN4O/c16-10-4-5-12(17)11(9-10)15(22)20-13-3-1-6-18-14(13)21-8-2-7-19-21/h1-9H,(H,20,22).
What are the key properties of 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide?
5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide has a molecular weight of 377.63 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 30887095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).