3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide

C20H19N3O2 — CID 20789079

IUPAC3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide
SMILESCC(C)CNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C20H19N3O2/c1-12(2)11-21-20(24)14-7-8-16-15(9-14)19(23-22-16)18-10-13-5-3-4-6-17(13)25-18/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIFFLDTAYMUUBER-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.36
Rot. Bonds4

About 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide (PubChem CID 20789079) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide
PubChem CID20789079
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide
SMILESCC(C)CNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C20H19N3O2/c1-12(2)11-21-20(24)14-7-8-16-15(9-14)19(23-22-16)18-10-13-5-3-4-6-17(13)25-18/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIFFLDTAYMUUBER-UHFFFAOYSA-N
XLogP4.36
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide (CID 20789079) is 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide is CC(C)CNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide?
The InChIKey is IFFLDTAYMUUBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12(2)11-21-20(24)14-7-8-16-15(9-14)19(23-22-16)18-10-13-5-3-4-6-17(13)25-18/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-(2-methylpropyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 20789079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).