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

C23H31F3N6O5 — CID 164880112

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

[5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164880112) has the molecular formula C23H31F3N6O5 and a molecular weight of 528.53 g/mol. Its IUPAC name is [5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 164880112
• Molecular Formula: C23H31F3N6O5
• Molecular Weight: 528.53 g/mol
• Exact Mass: 528.23
• IUPAC Name: [5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: Cn1nc(COC(F)(F)F)cc1C(=O)Nc1cc(C2CC(OC(=O)NC3(C)CC3)CO2)nn1C(C)(C)C
• InChI: InChI=1S/C23H31F3N6O5/c1-21(2,3)32-18(27-19(33)16-8-13(29-31(16)5)11-36-23(24,25)26)10-15(30-32)17-9-14(12-35-17)37-20(34)28-22(4)6-7-22/h8,10,14,17H,6-7,9,11-12H2,1-5H3,(H,27,33)(H,28,34)
• InChIKey: XUFVPJQHKYJAAO-UHFFFAOYSA-N
• XLogP: 3.77
• 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	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164880112) is [5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

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

The canonical SMILES for [5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is Cn1nc(COC(F)(F)F)cc1C(=O)Nc1cc(C2CC(OC(=O)NC3(C)CC3)CO2)nn1C(C)(C)C.

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

The InChIKey is XUFVPJQHKYJAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N6O5/c1-21(2,3)32-18(27-19(33)16-8-13(29-31(16)5)11-36-23(24,25)26)10-15(30-32)17-9-14(12-35-17)37-20(34)28-22(4)6-7-22/h8,10,14,17H,6-7,9,11-12H2,1-5H3,(H,27,33)(H,28,34).

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

[5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)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 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164880112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).