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

C17H18F3N3O — CID 807838

IUPACN-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1
InChIInChI=1S/C17H18F3N3O/c1-22(12-7-3-2-4-8-12)15(24)11-23-14-10-6-5-9-13(14)16(21-23)17(18,19)20/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyUENLHCYSNQJOBT-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.44
Rot. Bonds3

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

N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 807838) has the molecular formula C17H18F3N3O and a molecular weight of 337.34 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID807838
Molecular FormulaC17H18F3N3O
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC NameN-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1
InChIInChI=1S/C17H18F3N3O/c1-22(12-7-3-2-4-8-12)15(24)11-23-14-10-6-5-9-13(14)16(21-23)17(18,19)20/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyUENLHCYSNQJOBT-UHFFFAOYSA-N
XLogP3.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4-[2-Oxo-2-(1-Pyrrolidinyl)ethyl]phenyl}-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 24827045
1-({2-Fluoro-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1Hindazol-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 25015611
1-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24825905
N,N-dimethyl-2-{4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}acetamide
CID 24827044
1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 24827139
1-({4-[6-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-1-yl]phenyl}methyl)-2-pyrrolidinone
CID 24951944
1-{3-Fluoro-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazole
CID 25015613
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645933
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-methyl-3-(trifluoromethyl)-2H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]butan-1-one
CID 23645935
2-[3-(3-Fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone
CID 56837421
1-[3-(3-Fluorophenyl)indazol-1-yl]-3,3-dimethylbutan-2-one
CID 56840674
N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 762228

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 807838) is N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is UENLHCYSNQJOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-22(12-7-3-2-4-8-12)15(24)11-23-14-10-6-5-9-13(14)16(21-23)17(18,19)20/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 807838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).