N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide

C19H14F6N4O2 — CID 118024779

About N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide (PubChem CID 118024779) has the molecular formula C19H14F6N4O2 and a molecular weight of 444.34 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide
• PubChem CID: 118024779
• Molecular Formula: C19H14F6N4O2
• Molecular Weight: 444.34 g/mol
• Exact Mass: 444.10
• IUPAC Name: N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide
• SMILES: Cn1nc(C(F)F)c(C(=O)N(Cc2cc(-c3cc(F)c(F)c(F)c3)no2)C2CC2)c1F
• InChI: InChI=1S/C19H14F6N4O2/c1-28-18(25)14(16(26-28)17(23)24)19(30)29(9-2-3-9)7-10-6-13(27-31-10)8-4-11(20)15(22)12(21)5-8/h4-6,9,17H,2-3,7H2,1H3
• InChIKey: BXIHDONAGCXTHJ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.34
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide?

The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide (CID 118024779) is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(=O)N(Cc2cc(-c3cc(F)c(F)c(F)c3)no2)C2CC2)c1F.

What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide?

The InChIKey is BXIHDONAGCXTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N4O2/c1-28-18(25)14(16(26-28)17(23)24)19(30)29(9-2-3-9)7-10-6-13(27-31-10)8-4-11(20)15(22)12(21)5-8/h4-6,9,17H,2-3,7H2,1H3.

What are the key properties of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide?

N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 444.34 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[[3-(3,4,5-trifluorophenyl)-1,2-oxazol-5-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 118024779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).