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

C15H19N3O2 — CID 5309748

IUPACN-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCc2nn(CC(=O)NCc3ccco3)cc2C1
InChIInChI=1S/C15H19N3O2/c1-11-4-5-14-12(7-11)9-18(17-14)10-15(19)16-8-13-3-2-6-20-13/h2-3,6,9,11H,4-5,7-8,10H2,1H3,(H,16,19)
InChIKeyUBVIMTSLVAWBBH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.92
Rot. Bonds4

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

N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309748) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309748
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCc2nn(CC(=O)NCc3ccco3)cc2C1
InChIInChI=1S/C15H19N3O2/c1-11-4-5-14-12(7-11)9-18(17-14)10-15(19)16-8-13-3-2-6-20-13/h2-3,6,9,11H,4-5,7-8,10H2,1H3,(H,16,19)
InChIKeyUBVIMTSLVAWBBH-UHFFFAOYSA-N
XLogP1.92
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309748) is N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is CC1CCc2nn(CC(=O)NCc3ccco3)cc2C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is UBVIMTSLVAWBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-4-5-14-12(7-11)9-18(17-14)10-15(19)16-8-13-3-2-6-20-13/h2-3,6,9,11H,4-5,7-8,10H2,1H3,(H,16,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).