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

C17H24F3N3O — CID 807836

IUPACN-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)C1CCCCC1
InChIInChI=1S/C17H24F3N3O/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/h12H,2-11H2,1H3
InChIKeyGVOBSRSDUZXVIT-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.57
Rot. Bonds3

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

N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 807836) has the molecular formula C17H24F3N3O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID807836
Molecular FormulaC17H24F3N3O
Molecular Weight343.39 g/mol
Exact Mass343.19
IUPAC NameN-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)C1CCCCC1
InChIInChI=1S/C17H24F3N3O/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/h12H,2-11H2,1H3
InChIKeyGVOBSRSDUZXVIT-UHFFFAOYSA-N
XLogP3.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 807836) is N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-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-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is GVOBSRSDUZXVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O/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/h12H,2-11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 807836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).