2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride

C8H13ClF3N3O — CID 126964462

IUPAC2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)cc1CNCCO
InChIInChI=1S/C8H12F3N3O.ClH/c1-14-6(5-12-2-3-15)4-7(13-14)8(9,10)11;/h4,12,15H,2-3,5H2,1H3;1H
InChIKeyAZQKGXLFJUCVKH-UHFFFAOYSA-N
MW259.66 g/mol
LogP0.94
Rot. Bonds4

About 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride

2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride (PubChem CID 126964462) has the molecular formula C8H13ClF3N3O and a molecular weight of 259.66 g/mol. Its IUPAC name is 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride
PubChem CID126964462
Molecular FormulaC8H13ClF3N3O
Molecular Weight259.66 g/mol
Exact Mass259.07
IUPAC Name2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride
SMILESCl.Cn1nc(C(F)(F)F)cc1CNCCO
InChIInChI=1S/C8H12F3N3O.ClH/c1-14-6(5-12-2-3-15)4-7(13-14)8(9,10)11;/h4,12,15H,2-3,5H2,1H3;1H
InChIKeyAZQKGXLFJUCVKH-UHFFFAOYSA-N
XLogP0.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride (CID 126964462) is 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride is Cl.Cn1nc(C(F)(F)F)cc1CNCCO.
What is the InChIKey of 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride?
The InChIKey is AZQKGXLFJUCVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O.ClH/c1-14-6(5-12-2-3-15)4-7(13-14)8(9,10)11;/h4,12,15H,2-3,5H2,1H3;1H.
What are the key properties of 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride?
2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride has a molecular weight of 259.66 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 126964462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).