N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide

C17H17N3O2 — CID 22510448

IUPACN-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide
SMILESCCOc1ccc(NC(=O)n2ncc3c(C)cccc32)cc1
InChIInChI=1S/C17H17N3O2/c1-3-22-14-9-7-13(8-10-14)19-17(21)20-16-6-4-5-12(2)15(16)11-18-20/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyHNAYSDVINKEESW-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.82
Rot. Bonds3

About N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide

N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide (PubChem CID 22510448) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide
PubChem CID22510448
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide
SMILESCCOc1ccc(NC(=O)n2ncc3c(C)cccc32)cc1
InChIInChI=1S/C17H17N3O2/c1-3-22-14-9-7-13(8-10-14)19-17(21)20-16-6-4-5-12(2)15(16)11-18-20/h4-11H,3H2,1-2H3,(H,19,21)
InChIKeyHNAYSDVINKEESW-UHFFFAOYSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide (CID 22510448) is N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide is CCOc1ccc(NC(=O)n2ncc3c(C)cccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide?
The InChIKey is HNAYSDVINKEESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-22-14-9-7-13(8-10-14)19-17(21)20-16-6-4-5-12(2)15(16)11-18-20/h4-11H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide?
N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-methylindazole-1-carboxamide is sourced from PubChem (CID 22510448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).