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

C18H23N3O — CID 5308838

IUPAC2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cc3c(n2)CCCC3)c(C)c1
InChIInChI=1S/C18H23N3O/c1-12-8-13(2)18(14(3)9-12)19-17(22)11-21-10-15-6-4-5-7-16(15)20-21/h8-10H,4-7,11H2,1-3H3,(H,19,22)
InChIKeyJMCHPNQXMYTLMV-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.33
Rot. Bonds3

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

2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 5308838) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID5308838
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cc3c(n2)CCCC3)c(C)c1
InChIInChI=1S/C18H23N3O/c1-12-8-13(2)18(14(3)9-12)19-17(22)11-21-10-15-6-4-5-7-16(15)20-21/h8-10H,4-7,11H2,1-3H3,(H,19,22)
InChIKeyJMCHPNQXMYTLMV-UHFFFAOYSA-N
XLogP3.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 5308838) is 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2cc3c(n2)CCCC3)c(C)c1.
What is the InChIKey of 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JMCHPNQXMYTLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-8-13(2)18(14(3)9-12)19-17(22)11-21-10-15-6-4-5-7-16(15)20-21/h8-10H,4-7,11H2,1-3H3,(H,19,22).
What are the key properties of 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 5308838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).