4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

C17H22N4O — CID 119038060

IUPAC4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCCc3nn(C)cc32)cc1
InChIInChI=1S/C17H22N4O/c1-20(2)13-9-7-12(8-10-13)17(22)18-15-5-4-6-16-14(15)11-21(3)19-16/h7-11,15H,4-6H2,1-3H3,(H,18,22)
InChIKeyJETWJRPUTFYGJI-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.29
Rot. Bonds3

About 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide

4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (PubChem CID 119038060) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
PubChem CID119038060
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CCCc3nn(C)cc32)cc1
InChIInChI=1S/C17H22N4O/c1-20(2)13-9-7-12(8-10-13)17(22)18-15-5-4-6-16-14(15)11-21(3)19-16/h7-11,15H,4-6H2,1-3H3,(H,18,22)
InChIKeyJETWJRPUTFYGJI-UHFFFAOYSA-N
XLogP2.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The IUPAC name of 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide (CID 119038060) is 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The canonical SMILES for 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is CN(C)c1ccc(C(=O)NC2CCCc3nn(C)cc32)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
The InChIKey is JETWJRPUTFYGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-20(2)13-9-7-12(8-10-13)17(22)18-15-5-4-6-16-14(15)11-21(3)19-16/h7-11,15H,4-6H2,1-3H3,(H,18,22).
What are the key properties of 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide?
4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide is sourced from PubChem (CID 119038060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).