1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol

C9H14F3N3O — CID 107093568

IUPAC1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1ccnn1C
InChIInChI=1S/C9H14F3N3O/c1-6(7-3-4-14-15(7)2)13-5-8(16)9(10,11)12/h3-4,6,8,13,16H,5H2,1-2H3
InChIKeyUHKKQOBZVGKTEN-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.99
Rot. Bonds4

About 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol (PubChem CID 107093568) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
PubChem CID107093568
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1ccnn1C
InChIInChI=1S/C9H14F3N3O/c1-6(7-3-4-14-15(7)2)13-5-8(16)9(10,11)12/h3-4,6,8,13,16H,5H2,1-2H3
InChIKeyUHKKQOBZVGKTEN-UHFFFAOYSA-N
XLogP0.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
2,2,2-trifluoro-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 126973841
1-(Propan-2-ylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 4284201
2-Amino-1-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanol
CID 83884238
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 115858407
1-(Azetidin-3-yl)-3-(1,1-difluoroethyl)pyrazole
CID 143151335
1-(Azetidin-3-yl)-5-(1,1-difluoroethyl)pyrazole;ethane;molecular hydrogen
CID 143151376
[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1H-pyridin-2-yl]methanol
CID 151270589
1-[1-(2,2-Difluoropropyl)pyrazol-3-yl]ethanamine
CID 156717453
(1S)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine
CID 166163938
(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]propan-1-amine
CID 166163949
(1R)-1-[1-(difluoromethyl)pyrazol-3-yl]ethanamine
CID 166163973

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol (CID 107093568) is 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol is CC(NCC(O)C(F)(F)F)c1ccnn1C.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is UHKKQOBZVGKTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6(7-3-4-14-15(7)2)13-5-8(16)9(10,11)12/h3-4,6,8,13,16H,5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 237.22 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-(2-methylpyrazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 107093568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).