2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide

C18H20F3N3O2 — CID 97346993

IUPAC2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide
SMILESCOc1ccccc1CC(=O)N[C@@H]1CCCc2cn(CC(F)(F)F)nc21
InChIInChI=1S/C18H20F3N3O2/c1-26-15-8-3-2-5-12(15)9-16(25)22-14-7-4-6-13-10-24(23-17(13)14)11-18(19,20)21/h2-3,5,8,10,14H,4,6-7,9,11H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyTYJQAYCGSLHOFA-CQSZACIVSA-N
MW367.37 g/mol
LogP3.19
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide

2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide (PubChem CID 97346993) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide
PubChem CID97346993
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide
SMILESCOc1ccccc1CC(=O)N[C@@H]1CCCc2cn(CC(F)(F)F)nc21
InChIInChI=1S/C18H20F3N3O2/c1-26-15-8-3-2-5-12(15)9-16(25)22-14-7-4-6-13-10-24(23-17(13)14)11-18(19,20)21/h2-3,5,8,10,14H,4,6-7,9,11H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyTYJQAYCGSLHOFA-CQSZACIVSA-N
XLogP3.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]cyclobutanecarboxamide
CID 75475685
N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 75475662
4-methyl-3-oxo-N-[2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]-1,4-diazepane-1-carboxamide
CID 166217677
N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide
CID 97347048
6-[[(7S)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]amino]pyridine-3-carbonitrile
CID 97346522
2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 25453314
2-(furan-2-yl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139001083
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139008177
N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-2-cyclohexylacetamide
CID 97346909
N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 97346848

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide (CID 97346993) is 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide is COc1ccccc1CC(=O)N[C@@H]1CCCc2cn(CC(F)(F)F)nc21.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide?
The InChIKey is TYJQAYCGSLHOFA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-26-15-8-3-2-5-12(15)9-16(25)22-14-7-4-6-13-10-24(23-17(13)14)11-18(19,20)21/h2-3,5,8,10,14H,4,6-7,9,11H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide?
2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]acetamide is sourced from PubChem (CID 97346993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).