3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide

C20H22F5N5O4S — CID 171772297

About 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide

3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 171772297) has the molecular formula C20H22F5N5O4S and a molecular weight of 523.48 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 171772297
• Molecular Formula: C20H22F5N5O4S
• Molecular Weight: 523.48 g/mol
• Exact Mass: 523.13
• IUPAC Name: 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: CC1(Cn2nc(C3CC3)c(C(F)(F)F)c2C(=O)/N=c2\ccn(O)c(S(N)(=O)=O)c2)CCC(F)(F)C1
• InChI: InChI=1S/C20H22F5N5O4S/c1-18(5-6-19(21,22)9-18)10-29-16(14(20(23,24)25)15(28-29)11-2-3-11)17(31)27-12-4-7-30(32)13(8-12)35(26,33)34/h4,7-8,11,32H,2-3,5-6,9-10H2,1H3,(H2,26,33,34)/b27-12+
• InChIKey: OLRZBSUKZZJQHI-KKMKTNMSSA-N
• XLogP: 3.03
• TPSA: 132.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.48
LogP ≤ 5	3.03
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 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 171772297) is 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide is CC1(Cn2nc(C3CC3)c(C(F)(F)F)c2C(=O)/N=c2\ccn(O)c(S(N)(=O)=O)c2)CCC(F)(F)C1.

What is the InChIKey of 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is OLRZBSUKZZJQHI-KKMKTNMSSA-N. The full InChI is InChI=1S/C20H22F5N5O4S/c1-18(5-6-19(21,22)9-18)10-29-16(14(20(23,24)25)15(28-29)11-2-3-11)17(31)27-12-4-7-30(32)13(8-12)35(26,33)34/h4,7-8,11,32H,2-3,5-6,9-10H2,1H3,(H2,26,33,34)/b27-12+.

What are the key properties of 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide?

3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 523.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-[(3,3-difluoro-1-methylcyclopentyl)methyl]-N-(1-hydroxy-2-sulfamoyl-4-pyridinylidene)-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 171772297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).