N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide

C15H12N4O2 — CID 79497137

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3c(C#N)cnn3C)cc2c1
InChIInChI=1S/C15H12N4O2/c1-9-3-4-12-10(5-9)6-13(21-12)15(20)18-14-11(7-16)8-17-19(14)2/h3-6,8H,1-2H3,(H,18,20)
InChIKeyFHWAYNJEBWGKMJ-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.60
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide

N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 79497137) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID79497137
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3c(C#N)cnn3C)cc2c1
InChIInChI=1S/C15H12N4O2/c1-9-3-4-12-10(5-9)6-13(21-12)15(20)18-14-11(7-16)8-17-19(14)2/h3-6,8H,1-2H3,(H,18,20)
InChIKeyFHWAYNJEBWGKMJ-UHFFFAOYSA-N
XLogP2.60
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide (CID 79497137) is N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)Nc3c(C#N)cnn3C)cc2c1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FHWAYNJEBWGKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c1-9-3-4-12-10(5-9)6-13(21-12)15(20)18-14-11(7-16)8-17-19(14)2/h3-6,8H,1-2H3,(H,18,20).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide?
N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 79497137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).