3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide

C18H18F3N3O2 — CID 58267383

IUPAC3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide
SMILESNC(=O)c1cccc(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-6-1-2-7-15(14)24(23-16)10-13(25)9-11-4-3-5-12(8-11)17(22)26/h3-5,8H,1-2,6-7,9-10H2,(H2,22,26)
InChIKeyQEGXPCUURATSOP-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.69
Rot. Bonds5

About 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide

3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide (PubChem CID 58267383) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide
PubChem CID58267383
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide
SMILESNC(=O)c1cccc(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-6-1-2-7-15(14)24(23-16)10-13(25)9-11-4-3-5-12(8-11)17(22)26/h3-5,8H,1-2,6-7,9-10H2,(H2,22,26)
InChIKeyQEGXPCUURATSOP-UHFFFAOYSA-N
XLogP2.69
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide?
The IUPAC name of 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide (CID 58267383) is 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide.
What is the SMILES notation for 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide?
The canonical SMILES for 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide is NC(=O)c1cccc(CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1.
What is the InChIKey of 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide?
The InChIKey is QEGXPCUURATSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-6-1-2-7-15(14)24(23-16)10-13(25)9-11-4-3-5-12(8-11)17(22)26/h3-5,8H,1-2,6-7,9-10H2,(H2,22,26).
What are the key properties of 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide?
3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide has a molecular weight of 365.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide is sourced from PubChem (CID 58267383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).