N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C13H18F3N3O2 — CID 3136364

IUPACN-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C13H18F3N3O2/c1-21-7-6-17-11(20)8-19-10-5-3-2-4-9(10)12(18-19)13(14,15)16/h2-8H2,1H3,(H,17,20)
InChIKeyHNWNRTFHDFWCED-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.54
Rot. Bonds5

About N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 3136364) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID3136364
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C13H18F3N3O2/c1-21-7-6-17-11(20)8-19-10-5-3-2-4-9(10)12(18-19)13(14,15)16/h2-8H2,1H3,(H,17,20)
InChIKeyHNWNRTFHDFWCED-UHFFFAOYSA-N
XLogP1.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 3136364) is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is COCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is HNWNRTFHDFWCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-21-7-6-17-11(20)8-19-10-5-3-2-4-9(10)12(18-19)13(14,15)16/h2-8H2,1H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 305.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 3136364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).