tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate

C12H15F3N2O3 — CID 134398545

IUPACtert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc(O[C@@H]2C[C@H]2C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(18)17-5-4-9(16-17)19-8-6-7(8)12(13,14)15/h4-5,7-8H,6H2,1-3H3/t7-,8-/m1/s1
InChIKeyUQOBLEGRUCOVIK-HTQZYQBOSA-N
MW292.26 g/mol
LogP3.00
Rot. Bonds2

About tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate

tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate (PubChem CID 134398545) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate
PubChem CID134398545
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Nametert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc(O[C@@H]2C[C@H]2C(F)(F)F)n1
InChIInChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(18)17-5-4-9(16-17)19-8-6-7(8)12(13,14)15/h4-5,7-8H,6H2,1-3H3/t7-,8-/m1/s1
InChIKeyUQOBLEGRUCOVIK-HTQZYQBOSA-N
XLogP3.00
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(1R,2R)-2-methylcyclopropyl]oxypyrazole-1-carboxylate
CID 134393511
tert-butyl 3-[4-(dimethylamino)cyclohexyl]oxypyrazole-1-carboxylate
CID 126655423
tert-butyl 3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazole-1-carboxylate
CID 134587384
tert-butyl 4-methyl-5-[(1R,2S)-2-(trifluoromethyl)cyclopropyl]oxy-3,4-dihydropyrazole-2-carboxylate
CID 147171564
tert-butyl 3-(3,3-dicyclopropylpropoxy)pyrazole-1-carboxylate;ethane
CID 142372510
tert-butyl 3-[2-(1-methylcyclopropyl)ethoxy]pyrazole-1-carboxylate
CID 134393462
CID 153335568
CID 153335568
tert-butyl 3-(aminomethyl)pyrazole-1-carboxylate
CID 53407742
tert-butyl 3-ethynylpyrazole-1-carboxylate
CID 150227758
tert-butyl 3-[(4-cyano-2-fluorophenyl)methoxy]pyrazole-1-carboxylate
CID 162737357
1-O-tert-butyl 2-O-methyl (2R,3R)-5-oxo-3-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate
CID 125181020
tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole-1-carboxylate;[1-(trifluoromethyl)cyclopropyl]methanol
CID 159724250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate (CID 134398545) is tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate is CC(C)(C)OC(=O)n1ccc(O[C@@H]2C[C@H]2C(F)(F)F)n1.
What is the InChIKey of tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate?
The InChIKey is UQOBLEGRUCOVIK-HTQZYQBOSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-11(2,3)20-10(18)17-5-4-9(16-17)19-8-6-7(8)12(13,14)15/h4-5,7-8H,6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate?
tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate has a molecular weight of 292.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]oxypyrazole-1-carboxylate is sourced from PubChem (CID 134398545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).