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

C11H6BrClN4O — CID 81296169

IUPAC4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H6BrClN4O/c12-8-2-1-6(3-9(8)13)11(18)16-10-7(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18)
InChIKeyLKRLVIFUDUZZDQ-UHFFFAOYSA-N
MW325.55 g/mol
LogP2.95
Rot. Bonds2

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

4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide (PubChem CID 81296169) has the molecular formula C11H6BrClN4O and a molecular weight of 325.55 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
PubChem CID81296169
Molecular FormulaC11H6BrClN4O
Molecular Weight325.55 g/mol
Exact Mass323.94
IUPAC Name4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H6BrClN4O/c12-8-2-1-6(3-9(8)13)11(18)16-10-7(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18)
InChIKeyLKRLVIFUDUZZDQ-UHFFFAOYSA-N
XLogP2.95
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 114027651
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 112699962
2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 79496969
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
N-(4-cyano-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79503179
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 78913819
4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 110473991

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide (CID 81296169) is 4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide is N#Cc1cn[nH]c1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The InChIKey is LKRLVIFUDUZZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN4O/c12-8-2-1-6(3-9(8)13)11(18)16-10-7(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18).
What are the key properties of 4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide has a molecular weight of 325.55 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 81296169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).