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

C19H23F3N6O5 — CID 164879398

IUPAC[(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCn1nc(OCC(F)(F)F)cc1C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)[nH]n1
InChIInChI=1S/C19H23F3N6O5/c1-18(3-4-18)24-17(30)33-10-5-13(31-8-10)11-6-14(26-25-11)23-16(29)12-7-15(27-28(12)2)32-9-19(20,21)22/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,24,30)(H2,23,25,26,29)/t10-,13-/m1/s1
InChIKeyFAZOOMYTKVDERI-ZWNOBZJWSA-N
MW472.42 g/mol
LogP2.45
Rot. Bonds7

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

[(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879398) has the molecular formula C19H23F3N6O5 and a molecular weight of 472.42 g/mol. Its IUPAC name is [(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID164879398
Molecular FormulaC19H23F3N6O5
Molecular Weight472.42 g/mol
Exact Mass472.17
IUPAC Name[(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCn1nc(OCC(F)(F)F)cc1C(=O)Nc1cc([C@H]2C[C@@H](OC(=O)NC3(C)CC3)CO2)[nH]n1
InChIInChI=1S/C19H23F3N6O5/c1-18(3-4-18)24-17(30)33-10-5-13(31-8-10)11-6-14(26-25-11)23-16(29)12-7-15(27-28(12)2)32-9-19(20,21)22/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,24,30)(H2,23,25,26,29)/t10-,13-/m1/s1
InChIKeyFAZOOMYTKVDERI-ZWNOBZJWSA-N
XLogP2.45
TPSA132.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879398) is [(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-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)[nH]n1.
What is the InChIKey of [(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is FAZOOMYTKVDERI-ZWNOBZJWSA-N. The full InChI is InChI=1S/C19H23F3N6O5/c1-18(3-4-18)24-17(30)33-10-5-13(31-8-10)11-6-14(26-25-11)23-16(29)12-7-15(27-28(12)2)32-9-19(20,21)22/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,24,30)(H2,23,25,26,29)/t10-,13-/m1/s1.
What are the key properties of [(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 472.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-[3-[[1-methyl-3-(2,2,2-trifluoroethoxy)pyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).