N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H21N3O — CID 5309832

IUPACN-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1
InChIInChI=1S/C17H21N3O/c1-12-3-6-15(7-4-12)18-17(21)11-20-10-14-9-13(2)5-8-16(14)19-20/h3-4,6-7,10,13H,5,8-9,11H2,1-2H3,(H,18,21)
InChIKeyVCHDUYFLGAJBFC-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.96
Rot. Bonds3

About N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309832) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309832
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1
InChIInChI=1S/C17H21N3O/c1-12-3-6-15(7-4-12)18-17(21)11-20-10-14-9-13(2)5-8-16(14)19-20/h3-4,6-7,10,13H,5,8-9,11H2,1-2H3,(H,18,21)
InChIKeyVCHDUYFLGAJBFC-UHFFFAOYSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309832) is N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is Cc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is VCHDUYFLGAJBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-3-6-15(7-4-12)18-17(21)11-20-10-14-9-13(2)5-8-16(14)19-20/h3-4,6-7,10,13H,5,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).