(3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone

C18H18F3N3O2 — CID 24826181

IUPAC(3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CC(O)C1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-3-1-2-4-15(14)24(22-16)12-7-5-11(6-8-12)17(26)23-9-13(25)10-23/h5-8,13,25H,1-4,9-10H2
InChIKeyVRNPFAJNUZLARO-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.59
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone

(3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone (PubChem CID 24826181) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone
PubChem CID24826181
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name(3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone
SMILESO=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CC(O)C1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-3-1-2-4-15(14)24(22-16)12-7-5-11(6-8-12)17(26)23-9-13(25)10-23/h5-8,13,25H,1-4,9-10H2
InChIKeyVRNPFAJNUZLARO-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone (CID 24826181) is (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone is O=C(c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CC(O)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone?
The InChIKey is VRNPFAJNUZLARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)16-14-3-1-2-4-15(14)24(22-16)12-7-5-11(6-8-12)17(26)23-9-13(25)10-23/h5-8,13,25H,1-4,9-10H2.
What are the key properties of (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone?
(3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone has a molecular weight of 365.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methanone is sourced from PubChem (CID 24826181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).