4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide

C21H32F3N3O — CID 90614850

IUPAC4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)CC1
InChIInChI=1S/C21H32F3N3O/c1-2-3-6-15-9-11-16(12-10-15)20(28)25-13-14-27-18-8-5-4-7-17(18)19(26-27)21(22,23)24/h15-16H,2-14H2,1H3,(H,25,28)
InChIKeyYNVWSVJSOBARNA-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.89
Rot. Bonds7

About 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide

4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 90614850) has the molecular formula C21H32F3N3O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID90614850
Molecular FormulaC21H32F3N3O
Molecular Weight399.50 g/mol
Exact Mass399.25
IUPAC Name4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)CC1
InChIInChI=1S/C21H32F3N3O/c1-2-3-6-15-9-11-16(12-10-15)20(28)25-13-14-27-18-8-5-4-7-17(18)19(26-27)21(22,23)24/h15-16H,2-14H2,1H3,(H,25,28)
InChIKeyYNVWSVJSOBARNA-UHFFFAOYSA-N
XLogP4.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-methylsulfonyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]piperidine-4-carboxamide
CID 90614885
2-propyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pentanamide
CID 90614777
1-(4-methylphenyl)-5-oxo-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 90614898
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614839
4-butyl-N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 122277960
2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614857
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569
methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788041
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
CID 90615521
N-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267587
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 788042

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide (CID 90614850) is 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)CC1.
What is the InChIKey of 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is YNVWSVJSOBARNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F3N3O/c1-2-3-6-15-9-11-16(12-10-15)20(28)25-13-14-27-18-8-5-4-7-17(18)19(26-27)21(22,23)24/h15-16H,2-14H2,1H3,(H,25,28).
What are the key properties of 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide?
4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 90614850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).