[(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C23H31F3N6O5 — CID 164879556

About [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879556) has the molecular formula C23H31F3N6O5 and a molecular weight of 528.53 g/mol. Its IUPAC name is [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 164879556
• Molecular Formula: C23H31F3N6O5
• Molecular Weight: 528.53 g/mol
• Exact Mass: 528.23
• IUPAC Name: [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: Cn1nc(OCC(F)(F)F)cc1C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)nn1C(C)(C)C
• InChI: InChI=1S/C23H31F3N6O5/c1-21(2,3)32-17(27-19(33)15-10-18(30-31(15)5)36-12-23(24,25)26)9-14(29-32)16-8-13(11-35-16)37-20(34)28-22(4)6-7-22/h9-10,13,16H,6-8,11-12H2,1-5H3,(H,27,33)(H,28,34)/t13-,16-/m1/s1
• InChIKey: RUKVWSSOESHDKA-CZUORRHYSA-N
• XLogP: 3.67
• TPSA: 121.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.53
LogP ≤ 5	3.67
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-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879556) is [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)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-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is Cn1nc(OCC(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-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is RUKVWSSOESHDKA-CZUORRHYSA-N. The full InChI is InChI=1S/C23H31F3N6O5/c1-21(2,3)32-17(27-19(33)15-10-18(30-31(15)5)36-12-23(24,25)26)9-14(29-32)16-8-13(11-35-16)37-20(34)28-22(4)6-7-22/h9-10,13,16H,6-8,11-12H2,1-5H3,(H,27,33)(H,28,34)/t13-,16-/m1/s1.

What are the key properties of [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 528.53 g/mol, XLogP of 3.67, 7 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-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).