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

C18H20F3N3O — CID 24827044

IUPACN,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C18H20F3N3O/c1-23(2)16(25)11-12-7-9-13(10-8-12)24-15-6-4-3-5-14(15)17(22-24)18(19,20)21/h7-10H,3-6,11H2,1-2H3
InChIKeyFSJKHTVMNMNMEP-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.40
Rot. Bonds3

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

N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide (PubChem CID 24827044) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide
PubChem CID24827044
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC NameN,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide
SMILESCN(C)C(=O)Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C18H20F3N3O/c1-23(2)16(25)11-12-7-9-13(10-8-12)24-15-6-4-3-5-14(15)17(22-24)18(19,20)21/h7-10H,3-6,11H2,1-2H3
InChIKeyFSJKHTVMNMNMEP-UHFFFAOYSA-N
XLogP3.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 945544
1-[4-(1-Pyrrolidinylcarbonyl)phenyl]-3-(Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole
CID 4862343
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-methyl-N-(2-phenylethyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]benzamide
CID 24826946
1-{4-[3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1h-indazol-1-yl]phenyl}ethanone
CID 24826947
1-{4-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 24827139
1-{4-[1-(1-pyrrolidinylcarbonyl)cyclopropyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 24827142
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
1-[4-(4-morpholinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 1316629

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide (CID 24827044) is N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide is CN(C)C(=O)Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide?
The InChIKey is FSJKHTVMNMNMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-23(2)16(25)11-12-7-9-13(10-8-12)24-15-6-4-3-5-14(15)17(22-24)18(19,20)21/h7-10H,3-6,11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide?
N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 24827044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).