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

C24H29F3N4O3 — CID 141241626

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

(3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 141241626) has the molecular formula C24H29F3N4O3 and a molecular weight of 478.52 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• PubChem CID: 141241626
• Molecular Formula: C24H29F3N4O3
• Molecular Weight: 478.52 g/mol
• Exact Mass: 478.22
• IUPAC Name: (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
• SMILES: O=C(N1CC(O)C1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(CC3(CO)CC3)[nH]n2)C1
• InChI: InChI=1S/C24H29F3N4O3/c25-24(26,27)18-3-1-15(2-4-18)16-7-17(11-30(10-16)22(34)31-12-20(33)13-31)21-8-19(28-29-21)9-23(14-32)5-6-23/h1-4,8,16-17,20,32-33H,5-7,9-14H2,(H,28,29)
• InChIKey: UKCHNWVYAKKMLM-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 92.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.52
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The IUPAC name of (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 141241626) is (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The canonical SMILES for (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(N1CC(O)C1)N1CC(c2ccc(C(F)(F)F)cc2)CC(c2cc(CC3(CO)CC3)[nH]n2)C1.

What is the InChIKey of (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

The InChIKey is UKCHNWVYAKKMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O3/c25-24(26,27)18-3-1-15(2-4-18)16-7-17(11-30(10-16)22(34)31-12-20(33)13-31)21-8-19(28-29-21)9-23(14-32)5-6-23/h1-4,8,16-17,20,32-33H,5-7,9-14H2,(H,28,29).

What are the key properties of (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?

(3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 478.52 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxyazetidin-1-yl)-[3-[5-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrazol-3-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 141241626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).