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

C10H7BrN4OS — CID 79503185

IUPAC3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1sccc1Br
InChIInChI=1S/C10H7BrN4OS/c1-15-9(6(4-12)5-13-15)14-10(16)8-7(11)2-3-17-8/h2-3,5H,1H3,(H,14,16)
InChIKeyZTFMQIGCJVTIBV-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.37
Rot. Bonds2

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

3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 79503185) has the molecular formula C10H7BrN4OS and a molecular weight of 311.16 g/mol. Its IUPAC name is 3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide
PubChem CID79503185
Molecular FormulaC10H7BrN4OS
Molecular Weight311.16 g/mol
Exact Mass309.95
IUPAC Name3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide
SMILESCn1ncc(C#N)c1NC(=O)c1sccc1Br
InChIInChI=1S/C10H7BrN4OS/c1-15-9(6(4-12)5-13-15)14-10(16)8-7(11)2-3-17-8/h2-3,5H,1H3,(H,14,16)
InChIKeyZTFMQIGCJVTIBV-UHFFFAOYSA-N
XLogP2.37
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(4-cyano-1-methylpyrazol-5-yl)-1H-pyrazole-5-carboxamide
CID 19511444
4-cyano-N-(4-cyano-1-methylpyrazol-5-yl)benzamide
CID 112723104
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
3-bromo-N-(4-bromo-2-cyanophenyl)thiophene-2-carboxamide
CID 81498968
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712
N-(4-cyano-1-methylpyrazol-5-yl)-3,4-dimethylbenzamide
CID 112723715
N-(4-cyano-1-methylpyrazol-5-yl)-2-ethylpyrazole-3-carboxamide
CID 19475491
N-(4-cyano-1-methylpyrazol-5-yl)-2-methylfuran-3-carboxamide
CID 113220542
N-(4-cyano-1-methylpyrazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110472162
N-(4-cyano-1-methylpyrazol-5-yl)-3-hydroxy-4-methylbenzamide
CID 79503285
N-(4-cyano-1-methylpyrazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 112723801
N-(4-cyano-1-methylpyrazol-5-yl)-4-hydroxy-2-methylbenzamide
CID 107671438

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide (CID 79503185) is 3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide is Cn1ncc(C#N)c1NC(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is ZTFMQIGCJVTIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4OS/c1-15-9(6(4-12)5-13-15)14-10(16)8-7(11)2-3-17-8/h2-3,5H,1H3,(H,14,16).
What are the key properties of 3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide?
3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 311.16 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-cyano-1-methylpyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 79503185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).