[(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C22H29F3N6O5 — CID 164879506

About [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879506) has the molecular formula C22H29F3N6O5 and a molecular weight of 514.51 g/mol. Its IUPAC name is [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 164879506
• Molecular Formula: C22H29F3N6O5
• Molecular Weight: 514.51 g/mol
• Exact Mass: 514.22
• IUPAC Name: [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: Cn1nc(OC(F)(F)F)cc1C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)nn1C(C)(C)C
• InChI: InChI=1S/C22H29F3N6O5/c1-20(2,3)31-16(26-18(32)14-10-17(29-30(14)5)36-22(23,24)25)9-13(28-31)15-8-12(11-34-15)35-19(33)27-21(4)6-7-21/h9-10,12,15H,6-8,11H2,1-5H3,(H,26,32)(H,27,33)/t12-,15-/m1/s1
• InChIKey: DGJXHMGBMKPDAC-IUODEOHRSA-N
• XLogP: 3.63
• TPSA: 121.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.51
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879506) is [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is Cn1nc(OC(F)(F)F)cc1C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)nn1C(C)(C)C.

What is the InChIKey of [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is DGJXHMGBMKPDAC-IUODEOHRSA-N. The full InChI is InChI=1S/C22H29F3N6O5/c1-20(2,3)31-16(26-18(32)14-10-17(29-30(14)5)36-22(23,24)25)9-13(28-31)15-8-12(11-34-15)35-19(33)27-21(4)6-7-21/h9-10,12,15H,6-8,11H2,1-5H3,(H,26,32)(H,27,33)/t12-,15-/m1/s1.

What are the key properties of [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 514.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).