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

C19H16F8N6O — CID 140911317

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

N-cyclopropyl-4-methyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]pyrrole-3-carboxamide (PubChem CID 140911317) has the molecular formula C19H16F8N6O and a molecular weight of 496.36 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-methyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]pyrrole-3-carboxamide
• PubChem CID: 140911317
• Molecular Formula: C19H16F8N6O
• Molecular Weight: 496.36 g/mol
• Exact Mass: 496.13
• IUPAC Name: N-cyclopropyl-4-methyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]pyrrole-3-carboxamide
• SMILES: Cc1cn(-c2cnn(-c3c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn3C)c2)cc1C(=O)NC1CC1
• InChI: InChI=1S/C19H16F8N6O/c1-9-6-32(8-12(9)15(34)29-10-3-4-10)11-5-28-33(7-11)16-13(18(22,23)24)14(30-31(16)2)17(20,21)19(25,26)27/h5-8,10H,3-4H2,1-2H3,(H,29,34)
• InChIKey: LDHPZWSOUWRITC-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 69.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.36
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-4-methyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]pyrrole-3-carboxamide (CID 140911317) is N-cyclopropyl-4-methyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]pyrrole-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-4-methyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]pyrrole-3-carboxamide is Cc1cn(-c2cnn(-c3c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn3C)c2)cc1C(=O)NC1CC1.

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

The InChIKey is LDHPZWSOUWRITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F8N6O/c1-9-6-32(8-12(9)15(34)29-10-3-4-10)11-5-28-33(7-11)16-13(18(22,23)24)14(30-31(16)2)17(20,21)19(25,26)27/h5-8,10H,3-4H2,1-2H3,(H,29,34).

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

N-cyclopropyl-4-methyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]pyrrole-3-carboxamide has a molecular weight of 496.36 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-methyl-1-[1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 140911317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).