N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide

C16H12F8N8O — CID 140911309

About N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide

N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide (PubChem CID 140911309) has the molecular formula C16H12F8N8O and a molecular weight of 484.31 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide
• PubChem CID: 140911309
• Molecular Formula: C16H12F8N8O
• Molecular Weight: 484.31 g/mol
• Exact Mass: 484.10
• IUPAC Name: N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide
• SMILES: Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1-n1cc(-n2cc(C(=O)NC3CC3)nn2)cn1
• InChI: InChI=1S/C16H12F8N8O/c1-30-13(10(15(19,20)21)11(28-30)14(17,18)16(22,23)24)32-5-8(4-25-32)31-6-9(27-29-31)12(33)26-7-2-3-7/h4-7H,2-3H2,1H3,(H,26,33)
• InChIKey: DRJOVYCPFAILFH-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 95.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.31
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide?

The IUPAC name of N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide (CID 140911309) is N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide.

What is the SMILES notation for N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide?

The canonical SMILES for N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide is Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1-n1cc(-n2cc(C(=O)NC3CC3)nn2)cn1.

What is the InChIKey of N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide?

The InChIKey is DRJOVYCPFAILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F8N8O/c1-30-13(10(15(19,20)21)11(28-30)14(17,18)16(22,23)24)32-5-8(4-25-32)31-6-9(27-29-31)12(33)26-7-2-3-7/h4-7H,2-3H2,1H3,(H,26,33).

What are the key properties of N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide?

N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide has a molecular weight of 484.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 140911309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).