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

C20H24F3N3O — CID 24826945

IUPACN-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCCCCN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C20H24F3N3O/c1-3-4-13-25(2)19(27)14-9-11-15(12-10-14)26-17-8-6-5-7-16(17)18(24-26)20(21,22)23/h9-12H,3-8,13H2,1-2H3
InChIKeyKYGYKTIJFNMXMQ-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.64
Rot. Bonds5

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

N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide (PubChem CID 24826945) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
PubChem CID24826945
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCCCCN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C20H24F3N3O/c1-3-4-13-25(2)19(27)14-9-11-15(12-10-14)26-17-8-6-5-7-16(17)18(24-26)20(21,22)23/h9-12H,3-8,13H2,1-2H3
InChIKeyKYGYKTIJFNMXMQ-UHFFFAOYSA-N
XLogP4.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The IUPAC name of N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide (CID 24826945) is N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide.
What is the SMILES notation for N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The canonical SMILES for N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide is CCCCN(C)C(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The InChIKey is KYGYKTIJFNMXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-3-4-13-25(2)19(27)14-9-11-15(12-10-14)26-17-8-6-5-7-16(17)18(24-26)20(21,22)23/h9-12H,3-8,13H2,1-2H3.
What are the key properties of N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide has a molecular weight of 379.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide is sourced from PubChem (CID 24826945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).