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

C18H20F3N3O — CID 1129684

IUPACN-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C18H20F3N3O/c1-2-12-7-3-5-9-14(12)22-16(25)11-24-15-10-6-4-8-13(15)17(23-24)18(19,20)21/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,22,25)
InChIKeyABTXHPZAOQALIM-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.98
Rot. Bonds4

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

N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 1129684) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID1129684
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C18H20F3N3O/c1-2-12-7-3-5-9-14(12)22-16(25)11-24-15-10-6-4-8-13(15)17(23-24)18(19,20)21/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,22,25)
InChIKeyABTXHPZAOQALIM-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 1129684) is N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is ABTXHPZAOQALIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-2-12-7-3-5-9-14(12)22-16(25)11-24-15-10-6-4-8-13(15)17(23-24)18(19,20)21/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,22,25).
What are the key properties of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 1129684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).