N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C24H29F5N6O2 — CID 163626441

About N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 163626441) has the molecular formula C24H29F5N6O2 and a molecular weight of 528.53 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 163626441
• Molecular Formula: C24H29F5N6O2
• Molecular Weight: 528.53 g/mol
• Exact Mass: 528.23
• IUPAC Name: N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• SMILES: CC(C)C1CCC(N2C=C(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)C(C(F)F)N2)CC1
• InChI: InChI=1S/C24H29F5N6O2/c1-13(2)14-3-5-16(6-4-14)35-10-17(20(34-35)21(25)26)32-22(36)18-11-37-23(33-18)15-7-8-30-19(9-15)31-12-24(27,28)29/h7-11,13-14,16,20-21,34H,3-6,12H2,1-2H3,(H,30,31)(H,32,36)
• InChIKey: HSKWXQFFICZLJK-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 95.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.53
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 163626441) is N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is CC(C)C1CCC(N2C=C(NC(=O)c3coc(-c4ccnc(NCC(F)(F)F)c4)n3)C(C(F)F)N2)CC1.

What is the InChIKey of N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The InChIKey is HSKWXQFFICZLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F5N6O2/c1-13(2)14-3-5-16(6-4-14)35-10-17(20(34-35)21(25)26)32-22(36)18-11-37-23(33-18)15-7-8-30-19(9-15)31-12-24(27,28)29/h7-11,13-14,16,20-21,34H,3-6,12H2,1-2H3,(H,30,31)(H,32,36).

What are the key properties of N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 528.53 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(difluoromethyl)-2-(4-propan-2-ylcyclohexyl)-1,5-dihydropyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 163626441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).