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

C23H32F2N6O5 — CID 164879495

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

[(3R,5R)-5-[1-tert-butyl-5-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879495) has the molecular formula C23H32F2N6O5 and a molecular weight of 510.54 g/mol. Its IUPAC name is [(3R,5R)-5-[1-tert-butyl-5-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3R,5R)-5-[1-tert-butyl-5-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 164879495
• Molecular Formula: C23H32F2N6O5
• Molecular Weight: 510.54 g/mol
• Exact Mass: 510.24
• IUPAC Name: [(3R,5R)-5-[1-tert-butyl-5-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: Cn1nc(COC(F)F)cc1C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)nn1C(C)(C)C
• InChI: InChI=1S/C23H32F2N6O5/c1-22(2,3)31-18(26-19(32)16-8-13(28-30(16)5)11-35-20(24)25)10-15(29-31)17-9-14(12-34-17)36-21(33)27-23(4)6-7-23/h8,10,14,17,20H,6-7,9,11-12H2,1-5H3,(H,26,32)(H,27,33)/t14-,17-/m1/s1
• InChIKey: LDWJFILBBGCNRP-RHSMWYFYSA-N
• XLogP: 3.47
• TPSA: 121.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.54
LogP ≤ 5	3.47
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-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3R,5R)-5-[1-tert-butyl-5-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879495) is [(3R,5R)-5-[1-tert-butyl-5-[[3-(difluoromethoxymethyl)-1-methylpyrazole-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-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3R,5R)-5-[1-tert-butyl-5-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is Cn1nc(COC(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-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is LDWJFILBBGCNRP-RHSMWYFYSA-N. The full InChI is InChI=1S/C23H32F2N6O5/c1-22(2,3)31-18(26-19(32)16-8-13(28-30(16)5)11-35-20(24)25)10-15(29-31)17-9-14(12-34-17)36-21(33)27-23(4)6-7-23/h8,10,14,17,20H,6-7,9,11-12H2,1-5H3,(H,26,32)(H,27,33)/t14-,17-/m1/s1.

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

[(3R,5R)-5-[1-tert-butyl-5-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 510.54 g/mol, XLogP of 3.47, 8 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-[[3-(difluoromethoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).