1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol

C13H20F3N3O2 — CID 128993936

IUPAC1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(O)C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-7-11(8(2)19(3)18-7)12-9(4-5-21-12)17-6-10(20)13(14,15)16/h9-10,12,17,20H,4-6H2,1-3H3/t9-,10?,12-/m0/s1
InChIKeyVGXNNJIHWKGQCB-VULFSTHESA-N
MW307.32 g/mol
LogP1.38
Rot. Bonds4

About 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol

1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol (PubChem CID 128993936) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol
PubChem CID128993936
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Name1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(O)C(F)(F)F
InChIInChI=1S/C13H20F3N3O2/c1-7-11(8(2)19(3)18-7)12-9(4-5-21-12)17-6-10(20)13(14,15)16/h9-10,12,17,20H,4-6H2,1-3H3/t9-,10?,12-/m0/s1
InChIKeyVGXNNJIHWKGQCB-VULFSTHESA-N
XLogP1.38
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

rac-((2R,3S)-2-(trimethyl-1H-pyrazol-4-yl)oxolan-3-yl)methanamine
CID 95970483
2,2-dimethyl-N-[[2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]butan-1-amine
CID 72124389
1-methyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-sulfonamide
CID 164639678
5,6-dimethyl-2-oxo-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]-1H-pyrazine-3-carboxamide
CID 127955643
1-(2-cyano-2-methylpropyl)-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128991367
1-[3,5-Dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]propan-1-ol
CID 55109030
1-[3,5-Dimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-1-ol
CID 65803942
[3,5-Diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]methanol
CID 82697168
1-[3,5-Diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]ethanol
CID 82697395
1-[3,5-Diethyl-1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanol
CID 82697668
[3,5-Diethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]methanol
CID 82697836
1-[3,5-Diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanol
CID 82698537

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol (CID 128993936) is 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol?
The InChIKey is VGXNNJIHWKGQCB-VULFSTHESA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-7-11(8(2)19(3)18-7)12-9(4-5-21-12)17-6-10(20)13(14,15)16/h9-10,12,17,20H,4-6H2,1-3H3/t9-,10?,12-/m0/s1.
What are the key properties of 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol has a molecular weight of 307.32 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]propan-2-ol is sourced from PubChem (CID 128993936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).