tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate

C17H20F3N3O3 — CID 59843243

IUPACtert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](n2nc(C(F)(F)F)cc2-c2ccco2)C1
InChIInChI=1S/C17H20F3N3O3/c1-16(2,3)26-15(24)22-7-6-11(10-22)23-12(13-5-4-8-25-13)9-14(21-23)17(18,19)20/h4-5,8-9,11H,6-7,10H2,1-3H3/t11-/m1/s1
InChIKeyLCUYRZXHZFYHMT-LLVKDONJSA-N
MW371.36 g/mol
LogP4.34
Rot. Bonds2

About tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate (PubChem CID 59843243) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate
PubChem CID59843243
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC Nametert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](n2nc(C(F)(F)F)cc2-c2ccco2)C1
InChIInChI=1S/C17H20F3N3O3/c1-16(2,3)26-15(24)22-7-6-11(10-22)23-12(13-5-4-8-25-13)9-14(21-23)17(18,19)20/h4-5,8-9,11H,6-7,10H2,1-3H3/t11-/m1/s1
InChIKeyLCUYRZXHZFYHMT-LLVKDONJSA-N
XLogP4.34
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[2-fluoro-4-(furan-2-yl)phenoxy]pyrrolidine-1-carboxylate
CID 168526679
tert-butyl (3R)-3-[1-(furan-2-yl)ethyl-methylamino]pyrrolidine-1-carboxylate
CID 71633213
tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300921
tert-butyl 3-[4-(furan-2-yl)anilino]pyrrolidine-1-carboxylate
CID 168527057
ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 144862608
tert-butyl 3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 91809727
tert-butyl 3-[3-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)pyrazol-1-yl]pyrrolidine-1-carboxylate
CID 168964989
furan-2-ylmethyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]azanium
CID 6989299
tert-butyl (3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 126660812
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl 8-[6-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 155733544
tert-butyl 3-[4-(furan-2-yl)phenoxy]piperidine-1-carboxylate
CID 168528418

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate (CID 59843243) is tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](n2nc(C(F)(F)F)cc2-c2ccco2)C1.
What is the InChIKey of tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate?
The InChIKey is LCUYRZXHZFYHMT-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-16(2,3)26-15(24)22-7-6-11(10-22)23-12(13-5-4-8-25-13)9-14(21-23)17(18,19)20/h4-5,8-9,11H,6-7,10H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate has a molecular weight of 371.36 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 59843243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).