N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide

C17H19N3O2 — CID 60578628

IUPACN-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3c(C)ccc(C)c3c2C)n(C)n1
InChIInChI=1S/C17H19N3O2/c1-9-6-7-10(2)15-14(9)12(4)16(22-15)17(21)18-13-8-11(3)19-20(13)5/h6-8H,1-5H3,(H,18,21)
InChIKeySVHVAPBTTPLLJE-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.65
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide (PubChem CID 60578628) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
PubChem CID60578628
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2oc3c(C)ccc(C)c3c2C)n(C)n1
InChIInChI=1S/C17H19N3O2/c1-9-6-7-10(2)15-14(9)12(4)16(22-15)17(21)18-13-8-11(3)19-20(13)5/h6-8H,1-5H3,(H,18,21)
InChIKeySVHVAPBTTPLLJE-UHFFFAOYSA-N
XLogP3.65
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide (CID 60578628) is N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)c2oc3c(C)ccc(C)c3c2C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
The InChIKey is SVHVAPBTTPLLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-9-6-7-10(2)15-14(9)12(4)16(22-15)17(21)18-13-8-11(3)19-20(13)5/h6-8H,1-5H3,(H,18,21).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60578628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).