2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol

C8H12F3N3O — CID 141194076

IUPAC2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol
SMILESCC(NCCO)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-5(12-2-3-15)6-4-13-14-7(6)8(9,10)11/h4-5,12,15H,2-3H2,1H3,(H,13,14)
InChIKeyKGIFCZYBVRMWNW-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.07
Rot. Bonds4

About 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol

2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol (PubChem CID 141194076) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol
PubChem CID141194076
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol
SMILESCC(NCCO)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-5(12-2-3-15)6-4-13-14-7(6)8(9,10)11/h4-5,12,15H,2-3H2,1H3,(H,13,14)
InChIKeyKGIFCZYBVRMWNW-UHFFFAOYSA-N
XLogP1.07
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}propan-1-ol
CID 43663748
(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]butan-1-ol
CID 136581072
N-methyl-2-(3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-amine
CID 82656597
N-(2-fluoroethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanamine
CID 141194086
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61068856
N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 66442059
2-methoxy-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 66442457
N-[[5-(difluoromethyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66442659
2-(1,5-Dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 79584577
2-amino-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 82657158
(2S)-2-amino-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 96856910
(2R)-2-amino-2-[3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 96856911

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol?
The IUPAC name of 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol (CID 141194076) is 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol.
What is the SMILES notation for 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol?
The canonical SMILES for 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol is CC(NCCO)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol?
The InChIKey is KGIFCZYBVRMWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-5(12-2-3-15)6-4-13-14-7(6)8(9,10)11/h4-5,12,15H,2-3H2,1H3,(H,13,14).
What are the key properties of 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol?
2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol has a molecular weight of 223.20 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylamino]ethanol is sourced from PubChem (CID 141194076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).