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

C11H17N3O — CID 6623481

IUPACN-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCNC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C11H17N3O/c1-8-3-4-10-9(5-8)6-14(13-10)7-11(15)12-2/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyIBFOADSHQKXFOT-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.75
Rot. Bonds2

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

N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 6623481) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID6623481
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCNC(=O)Cn1cc2c(n1)CCC(C)C2
InChIInChI=1S/C11H17N3O/c1-8-3-4-10-9(5-8)6-14(13-10)7-11(15)12-2/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyIBFOADSHQKXFOT-UHFFFAOYSA-N
XLogP0.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 6623481) is N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is CNC(=O)Cn1cc2c(n1)CCC(C)C2.
What is the InChIKey of N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is IBFOADSHQKXFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-3-4-10-9(5-8)6-14(13-10)7-11(15)12-2/h6,8H,3-5,7H2,1-2H3,(H,12,15).
What are the key properties of N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 6623481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).