(3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C25H25F3N4O2 — CID 141241409

IUPAC(3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(N1CC(O)C1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C25H25F3N4O2/c26-25(27,28)20-8-6-16(7-9-20)18-10-19(13-31(12-18)24(34)32-14-21(33)15-32)23-11-22(29-30-23)17-4-2-1-3-5-17/h1-9,11,18-19,21,33H,10,12-15H2,(H,29,30)
InChIKeyOCZQEAMYTFFHMO-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.47
Rot. Bonds3

About (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 141241409) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID141241409
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name(3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(N1CC(O)C1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C25H25F3N4O2/c26-25(27,28)20-8-6-16(7-9-20)18-10-19(13-31(12-18)24(34)32-14-21(33)15-32)23-11-22(29-30-23)17-4-2-1-3-5-17/h1-9,11,18-19,21,33H,10,12-15H2,(H,29,30)
InChIKeyOCZQEAMYTFFHMO-UHFFFAOYSA-N
XLogP4.47
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 141241409) is (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(N1CC(O)C1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is OCZQEAMYTFFHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c26-25(27,28)20-8-6-16(7-9-20)18-10-19(13-31(12-18)24(34)32-14-21(33)15-32)23-11-22(29-30-23)17-4-2-1-3-5-17/h1-9,11,18-19,21,33H,10,12-15H2,(H,29,30).
What are the key properties of (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 470.50 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[3-(3-phenyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 141241409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).