N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide

C13H11N3OS2 — CID 2739856

IUPACN-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
SMILESCNC(=O)n1nccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C13H11N3OS2/c1-14-13(17)16-9(6-7-15-16)10-4-5-12(19-10)11-3-2-8-18-11/h2-8H,1H3,(H,14,17)
InChIKeyIBGGATDZTGUWLJ-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.53
Rot. Bonds2

About N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide

N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide (PubChem CID 2739856) has the molecular formula C13H11N3OS2 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
PubChem CID2739856
Molecular FormulaC13H11N3OS2
Molecular Weight289.39 g/mol
Exact Mass289.03
IUPAC NameN-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
SMILESCNC(=O)n1nccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C13H11N3OS2/c1-14-13(17)16-9(6-7-15-16)10-4-5-12(19-10)11-3-2-8-18-11/h2-8H,1H3,(H,14,17)
InChIKeyIBGGATDZTGUWLJ-UHFFFAOYSA-N
XLogP3.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
The IUPAC name of N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide (CID 2739856) is N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide is CNC(=O)n1nccc1-c1ccc(-c2cccs2)s1.
What is the InChIKey of N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
The InChIKey is IBGGATDZTGUWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c1-14-13(17)16-9(6-7-15-16)10-4-5-12(19-10)11-3-2-8-18-11/h2-8H,1H3,(H,14,17).
What are the key properties of N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide has a molecular weight of 289.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 2739856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).