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

C11H6BrClN4O — CID 114027651

IUPAC2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H6BrClN4O/c12-9-2-1-7(13)3-8(9)11(18)16-10-6(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18)
InChIKeyPWALQHBBCDWUOK-UHFFFAOYSA-N
MW325.55 g/mol
LogP2.95
Rot. Bonds2

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

2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide (PubChem CID 114027651) has the molecular formula C11H6BrClN4O and a molecular weight of 325.55 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
PubChem CID114027651
Molecular FormulaC11H6BrClN4O
Molecular Weight325.55 g/mol
Exact Mass323.94
IUPAC Name2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H6BrClN4O/c12-9-2-1-7(13)3-8(9)11(18)16-10-6(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18)
InChIKeyPWALQHBBCDWUOK-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

Analyze 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 79503936
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 79504305
4-amino-2-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 110473991
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823
4-chloro-N-(4-cyano-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 107987719
4,5-dibromo-N-(4-cyano-1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 78913819
3-chloro-N-(4-cyano-1H-pyrazol-5-yl)-2-methylbenzamide
CID 110473457
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886
N-(4-cyano-1H-pyrazol-5-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 79496969
1-(3-chlorophenyl)-3-(4-cyano-1H-pyrazol-5-yl)urea
CID 79504510
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide (CID 114027651) is 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide is N#Cc1cn[nH]c1NC(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
The InChIKey is PWALQHBBCDWUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN4O/c12-9-2-1-7(13)3-8(9)11(18)16-10-6(4-14)5-15-17-10/h1-3,5H,(H2,15,16,17,18).
What are the key properties of 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide?
2-bromo-5-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 2-bromo-5-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 114027651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).