N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C26H29F3N4O4 — CID 118514696

About N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 118514696) has the molecular formula C26H29F3N4O4 and a molecular weight of 518.54 g/mol. Its IUPAC name is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 118514696
• Molecular Formula: C26H29F3N4O4
• Molecular Weight: 518.54 g/mol
• Exact Mass: 518.21
• IUPAC Name: N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(-c2onc(C(=O)Nc3c(C)n(C)n(C4CCCCC4)c3=O)c2C2CC2)c(C(F)(F)F)c1
• InChI: InChI=1S/C26H29F3N4O4/c1-14-21(25(35)33(32(14)2)16-7-5-4-6-8-16)30-24(34)22-20(15-9-10-15)23(37-31-22)18-12-11-17(36-3)13-19(18)26(27,28)29/h11-13,15-16H,4-10H2,1-3H3,(H,30,34)
• InChIKey: FMHBHEQVWXQITL-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 91.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.54
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 118514696) is N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2onc(C(=O)Nc3c(C)n(C)n(C4CCCCC4)c3=O)c2C2CC2)c(C(F)(F)F)c1.

What is the InChIKey of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is FMHBHEQVWXQITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O4/c1-14-21(25(35)33(32(14)2)16-7-5-4-6-8-16)30-24(34)22-20(15-9-10-15)23(37-31-22)18-12-11-17(36-3)13-19(18)26(27,28)29/h11-13,15-16H,4-10H2,1-3H3,(H,30,34).

What are the key properties of N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?

N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 518.54 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclohexyl-2,3-dimethyl-5-oxopyrazol-4-yl)-4-cyclopropyl-5-[4-methoxy-2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118514696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).