5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide

C11H9BrN4OS — CID 112697621

IUPAC5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nn(C)cc2C#N)sc1Br
InChIInChI=1S/C11H9BrN4OS/c1-6-3-8(18-9(6)12)11(17)14-10-7(4-13)5-16(2)15-10/h3,5H,1-2H3,(H,14,15,17)
InChIKeyYCMBZYXGBDQMOR-UHFFFAOYSA-N
MW325.19 g/mol
LogP2.68
Rot. Bonds2

About 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide

5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide (PubChem CID 112697621) has the molecular formula C11H9BrN4OS and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide
PubChem CID112697621
Molecular FormulaC11H9BrN4OS
Molecular Weight325.19 g/mol
Exact Mass323.97
IUPAC Name5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nn(C)cc2C#N)sc1Br
InChIInChI=1S/C11H9BrN4OS/c1-6-3-8(18-9(6)12)11(17)14-10-7(4-13)5-16(2)15-10/h3,5H,1-2H3,(H,14,15,17)
InChIKeyYCMBZYXGBDQMOR-UHFFFAOYSA-N
XLogP2.68
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 113248158
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
5-bromo-N-(2-cyano-4-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79953525
N-(4-cyano-1-methylpyrazol-3-yl)-5-methylpyridine-3-carboxamide
CID 104593096
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 104593149
4-bromo-2-chloro-N-(4-cyano-1-methylpyrazol-3-yl)benzamide
CID 104593077
2-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-5-fluorobenzamide
CID 112696248
N-(4-cyano-1-methylpyrazol-3-yl)-2-methyl-4-nitrobenzamide
CID 115672412
N-(4-cyano-1-methylpyrazol-3-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 104593061
5-bromo-N-(2-cyano-4-nitrophenyl)-4-methylthiophene-2-carboxamide
CID 79987442
N-(4-cyano-1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 115672352

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide (CID 112697621) is 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2nn(C)cc2C#N)sc1Br.
What is the InChIKey of 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide?
The InChIKey is YCMBZYXGBDQMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4OS/c1-6-3-8(18-9(6)12)11(17)14-10-7(4-13)5-16(2)15-10/h3,5H,1-2H3,(H,14,15,17).
What are the key properties of 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide has a molecular weight of 325.19 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-cyano-1-methylpyrazol-3-yl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 112697621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).