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

C17H18F3N3O2 — CID 646281

IUPACN-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C17H18F3N3O2/c1-25-14-9-5-3-7-12(14)21-15(24)10-23-13-8-4-2-6-11(13)16(22-23)17(18,19)20/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,21,24)
InChIKeyMMHXOFXJNXBBIY-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.43
Rot. Bonds4

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

N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 646281) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID646281
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C17H18F3N3O2/c1-25-14-9-5-3-7-12(14)21-15(24)10-23-13-8-4-2-6-11(13)16(22-23)17(18,19)20/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,21,24)
InChIKeyMMHXOFXJNXBBIY-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 646281) is N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is COc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is MMHXOFXJNXBBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-25-14-9-5-3-7-12(14)21-15(24)10-23-13-8-4-2-6-11(13)16(22-23)17(18,19)20/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 646281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).