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

C23H22F3N3O — CID 24826364

IUPACN-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide
SMILESCN(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)C(=O)c1ccccc1
InChIInChI=1S/C23H22F3N3O/c1-28(22(30)17-7-3-2-4-8-17)15-16-11-13-18(14-12-16)29-20-10-6-5-9-19(20)21(27-29)23(24,25)26/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3
InChIKeyCZZGDTCMOVLNCN-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.04
Rot. Bonds4

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

N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide (PubChem CID 24826364) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide
PubChem CID24826364
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC NameN-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide
SMILESCN(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)C(=O)c1ccccc1
InChIInChI=1S/C23H22F3N3O/c1-28(22(30)17-7-3-2-4-8-17)15-16-11-13-18(14-12-16)29-20-10-6-5-9-19(20)21(27-29)23(24,25)26/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3
InChIKeyCZZGDTCMOVLNCN-UHFFFAOYSA-N
XLogP5.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]acetic acid
CID 50992931
N-methyl-N-[2-(1-methylpyrrol-2-yl)ethyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 24826009
N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 1129740
[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanol
CID 24825810
N-phenyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4860978
N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 3159357
N-(2-methylphenyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4860979
2-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]ethanesulfonamide
CID 91137888
N-hexadecyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4862351
1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30806385
N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]propane-2-sulfonamide
CID 24826368
N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 4714874

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide?
The IUPAC name of N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide (CID 24826364) is N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide.
What is the SMILES notation for N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide?
The canonical SMILES for N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide is CN(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide?
The InChIKey is CZZGDTCMOVLNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O/c1-28(22(30)17-7-3-2-4-8-17)15-16-11-13-18(14-12-16)29-20-10-6-5-9-19(20)21(27-29)23(24,25)26/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3.
What are the key properties of N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide?
N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide has a molecular weight of 413.44 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 24826364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).