1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one

C19H20F3N3O — CID 24825909

IUPAC1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C19H20F3N3O/c1-24-15(10-11-17(24)26)12-6-8-13(9-7-12)25-16-5-3-2-4-14(16)18(23-25)19(20,21)22/h6-9,15H,2-5,10-11H2,1H3
InChIKeyPAYXYSKPPQUFDR-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.06
Rot. Bonds2

About 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one

1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one (PubChem CID 24825909) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one
PubChem CID24825909
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one
SMILESCN1C(=O)CCC1c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C19H20F3N3O/c1-24-15(10-11-17(24)26)12-6-8-13(9-7-12)25-16-5-3-2-4-14(16)18(23-25)19(20,21)22/h6-9,15H,2-5,10-11H2,1H3
InChIKeyPAYXYSKPPQUFDR-UHFFFAOYSA-N
XLogP4.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one (CID 24825909) is 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one is CN1C(=O)CCC1c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one?
The InChIKey is PAYXYSKPPQUFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-24-15(10-11-17(24)26)12-6-8-13(9-7-12)25-16-5-3-2-4-14(16)18(23-25)19(20,21)22/h6-9,15H,2-5,10-11H2,1H3.
What are the key properties of 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one?
1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one has a molecular weight of 363.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 24825909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).