1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide

C20H22F3N5O3S — CID 171772346

About 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide

1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 171772346) has the molecular formula C20H22F3N5O3S and a molecular weight of 469.49 g/mol. Its IUPAC name is 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 171772346
• Molecular Formula: C20H22F3N5O3S
• Molecular Weight: 469.49 g/mol
• Exact Mass: 469.14
• IUPAC Name: 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: [H]N=S(C)(=O)c1c/c(=N/C(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC23CCC2C3)ccn1O
• InChI: InChI=1S/C20H22F3N5O3S/c1-32(24,31)14-8-13(5-7-28(14)30)25-18(29)17-15(20(21,22)23)16(11-2-3-11)26-27(17)10-19-6-4-12(19)9-19/h5,7-8,11-12,24,30H,2-4,6,9-10H2,1H3/b25-13+
• InChIKey: UDAKTWQANNLSON-DHRITJCHSA-N
• XLogP: 3.39
• TPSA: 113.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.49
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 171772346) is 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide is [H]N=S(C)(=O)c1c/c(=N/C(=O)c2c(C(F)(F)F)c(C3CC3)nn2CC23CCC2C3)ccn1O.

What is the InChIKey of 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is UDAKTWQANNLSON-DHRITJCHSA-N. The full InChI is InChI=1S/C20H22F3N5O3S/c1-32(24,31)14-8-13(5-7-28(14)30)25-18(29)17-15(20(21,22)23)16(11-2-3-11)26-27(17)10-19-6-4-12(19)9-19/h5,7-8,11-12,24,30H,2-4,6,9-10H2,1H3/b25-13+.

What are the key properties of 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide?

1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-bicyclo[2.1.0]pentanylmethyl)-3-cyclopropyl-N-[1-hydroxy-2-(methylsulfonimidoyl)-4-pyridinylidene]-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 171772346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).