5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide

C15H10BrClN4O — CID 95753152

IUPAC5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN4O/c16-10-1-2-12(17)11(7-10)15(22)19-14-8-13(20-21-14)9-3-5-18-6-4-9/h1-8H,(H2,19,20,21,22)
InChIKeyNYSYGDHHKWHXSV-UHFFFAOYSA-N
MW377.63 g/mol
LogP4.14
Rot. Bonds3

About 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide

5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 95753152) has the molecular formula C15H10BrClN4O and a molecular weight of 377.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
PubChem CID95753152
Molecular FormulaC15H10BrClN4O
Molecular Weight377.63 g/mol
Exact Mass375.97
IUPAC Name5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClN4O/c16-10-1-2-12(17)11(7-10)15(22)19-14-8-13(20-21-14)9-3-5-18-6-4-9/h1-8H,(H2,19,20,21,22)
InChIKeyNYSYGDHHKWHXSV-UHFFFAOYSA-N
XLogP4.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.63
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527085
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 5330996
1,5-dimethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752897
3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
1-ethyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pyrazole-3-carboxamide
CID 95752902
5-bromo-2-chloro-N-(6-pyrazol-1-ylpyrimidin-4-yl)benzamide
CID 72717793
5-bromo-2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30887095
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
5-bromo-2-chloro-N-(3-hydroxy-2-pyridinyl)benzamide
CID 25332846
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide (CID 95753152) is 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(-c2ccncc2)[nH]n1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is NYSYGDHHKWHXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN4O/c16-10-1-2-12(17)11(7-10)15(22)19-14-8-13(20-21-14)9-3-5-18-6-4-9/h1-8H,(H2,19,20,21,22).
What are the key properties of 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide?
5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 377.63 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 95753152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).