[(3R,5R)-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 164879385

IUPAC[(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCn1nc(COC(F)(F)F)cc1C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)nn1C(C)(C)C
InChIInChI=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)/t14-,17-/m1/s1
InChIKeyXUFVPJQHKYJAAO-RHSMWYFYSA-N
MW528.53 g/mol
LogP3.77
Rot. Bonds7

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

[(3R,5R)-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 164879385) 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-(trifluoromethoxymethyl)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-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID164879385
Molecular FormulaC23H31F3N6O5
Molecular Weight528.53 g/mol
Exact Mass528.23
IUPAC Name[(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCn1nc(COC(F)(F)F)cc1C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)nn1C(C)(C)C
InChIInChI=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)/t14-,17-/m1/s1
InChIKeyXUFVPJQHKYJAAO-RHSMWYFYSA-N
XLogP3.77
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-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 [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879385) is [(3R,5R)-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 [(3R,5R)-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 [(3R,5R)-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([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-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is XUFVPJQHKYJAAO-RHSMWYFYSA-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)/t14-,17-/m1/s1.
What are the key properties of [(3R,5R)-5-[1-tert-butyl-5-[[1-methyl-3-(trifluoromethoxymethyl)pyrazole-5-carbonyl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3R,5R)-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 [(3R,5R)-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 164879385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).