4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide

C12H8BrClN4O — CID 104593077

IUPAC4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide
SMILESCn1cc(C#N)c(NC(=O)c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H8BrClN4O/c1-18-6-7(5-15)11(17-18)16-12(19)9-3-2-8(13)4-10(9)14/h2-4,6H,1H3,(H,16,17,19)
InChIKeyJZRFQGZUPVYNCT-UHFFFAOYSA-N
MW339.58 g/mol
LogP2.96
Rot. Bonds2

About 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide

4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide (PubChem CID 104593077) has the molecular formula C12H8BrClN4O and a molecular weight of 339.58 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide
PubChem CID104593077
Molecular FormulaC12H8BrClN4O
Molecular Weight339.58 g/mol
Exact Mass337.96
IUPAC Name4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide
SMILESCn1cc(C#N)c(NC(=O)c2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H8BrClN4O/c1-18-6-7(5-15)11(17-18)16-12(19)9-3-2-8(13)4-10(9)14/h2-4,6H,1H3,(H,16,17,19)
InChIKeyJZRFQGZUPVYNCT-UHFFFAOYSA-N
XLogP2.96
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-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

5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104593149
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696248
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-3-methylbenzamide
CID 103857168
3-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696256
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-4-nitrobenzamide
CID 115672412
1-(4-cyano-1-methylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 104593247
N-(4-cyano-1-methylpyrazol-3-yl)naphthalene-1-carboxamide
CID 104593170
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide
CID 112697621
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 104593100
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352
N-(4-cyano-1-methylpyrazol-3-yl)-4-ethylbenzamide
CID 115672371
N-(5-bromo-2-cyanophenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107798325

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide (CID 104593077) is 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide is Cn1cc(C#N)c(NC(=O)c2ccc(Br)cc2Cl)n1.
What is the InChIKey of 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide?
The InChIKey is JZRFQGZUPVYNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4O/c1-18-6-7(5-15)11(17-18)16-12(19)9-3-2-8(13)4-10(9)14/h2-4,6H,1H3,(H,16,17,19).
What are the key properties of 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide?
4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide has a molecular weight of 339.58 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 104593077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).