3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C17H14N4O2S — CID 51091413

IUPAC3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2cn(C)nc2-c2coc3ccccc23)s1
InChIInChI=1S/C17H14N4O2S/c1-10-7-18-17(24-10)19-16(22)12-8-21(2)20-15(12)13-9-23-14-6-4-3-5-11(13)14/h3-9H,1-2H3,(H,18,19,22)
InChIKeyZAWGXWHFJKPVDY-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.85
Rot. Bonds3

About 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 51091413) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID51091413
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1cnc(NC(=O)c2cn(C)nc2-c2coc3ccccc23)s1
InChIInChI=1S/C17H14N4O2S/c1-10-7-18-17(24-10)19-16(22)12-8-21(2)20-15(12)13-9-23-14-6-4-3-5-11(13)14/h3-9H,1-2H3,(H,18,19,22)
InChIKeyZAWGXWHFJKPVDY-UHFFFAOYSA-N
XLogP3.85
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 51091413) is 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is Cc1cnc(NC(=O)c2cn(C)nc2-c2coc3ccccc23)s1.
What is the InChIKey of 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is ZAWGXWHFJKPVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-10-7-18-17(24-10)19-16(22)12-8-21(2)20-15(12)13-9-23-14-6-4-3-5-11(13)14/h3-9H,1-2H3,(H,18,19,22).
What are the key properties of 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-3-yl)-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 51091413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).