2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol

C9H15F3N4O — CID 107478696

IUPAC2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1ccn(CCN(CCO)CC(F)(F)F)n1
InChIInChI=1S/C9H15F3N4O/c10-9(11,12)7-15(5-6-17)3-4-16-2-1-8(13)14-16/h1-2,17H,3-7H2,(H2,13,14)
InChIKeyFXOFUXCYTMWITN-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.32
Rot. Bonds6

About 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478696) has the molecular formula C9H15F3N4O and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478696
Molecular FormulaC9H15F3N4O
Molecular Weight252.24 g/mol
Exact Mass252.12
IUPAC Name2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNc1ccn(CCN(CCO)CC(F)(F)F)n1
InChIInChI=1S/C9H15F3N4O/c10-9(11,12)7-15(5-6-17)3-4-16-2-1-8(13)14-16/h1-2,17H,3-7H2,(H2,13,14)
InChIKeyFXOFUXCYTMWITN-UHFFFAOYSA-N
XLogP0.32
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1H-pyrazol-1-yl)ethan-1-ol
CID 320281
2-(3-Amino-1H-pyrazol-1-yl)ethan-1-ol
CID 21279853
1-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 45116728
1-(2-(morpholin-4-yl)ethyl)-1H-pyrazol-3-amine
CID 50989708
1-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 50896592
3-(3-amino-1H-pyrazol-1-yl)propan-1-ol
CID 50989707
1-(3-amino-1H-pyrazol-1-yl)propan-2-ol
CID 55284669
1-(3-amino-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 59344938
1-[3-(morpholin-4-yl)propyl]-1H-pyrazol-3-amine
CID 63310505
1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazol-3-amine
CID 61490885
1-(4-Hydroxybutyl)-3-[2-(2,2,2-trifluoroethyl)guanidino]pyrazole
CID 20451304
1-[1-(3-Hydroxypropyl)pyrazol-3-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20458262

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478696) is 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol is Nc1ccn(CCN(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FXOFUXCYTMWITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O/c10-9(11,12)7-15(5-6-17)3-4-16-2-1-8(13)14-16/h1-2,17H,3-7H2,(H2,13,14).
What are the key properties of 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 252.24 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopyrazol-1-yl)ethyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).