2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C8H13F3N4O — CID 107478379

IUPAC2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCn1cc(N)c(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C8H13F3N4O/c1-14-4-6(12)7(13-14)15(2-3-16)5-8(9,10)11/h4,16H,2-3,5,12H2,1H3
InChIKeyIAMYQXBFLHAWSY-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.36
Rot. Bonds4

About 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478379) has the molecular formula C8H13F3N4O and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478379
Molecular FormulaC8H13F3N4O
Molecular Weight238.21 g/mol
Exact Mass238.10
IUPAC Name2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCn1cc(N)c(N(CCO)CC(F)(F)F)n1
InChIInChI=1S/C8H13F3N4O/c1-14-4-6(12)7(13-14)15(2-3-16)5-8(9,10)11/h4,16H,2-3,5,12H2,1H3
InChIKeyIAMYQXBFLHAWSY-UHFFFAOYSA-N
XLogP0.36
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1-methylpyrazol-3-yl)-pentan-3-ylamino]ethanol
CID 103078277
3-N-butyl-3-N-ethyl-1-methylpyrazole-3,4-diamine
CID 103077816
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
2-[(3-methylpyrazin-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484362
2-[2-amino-4,5-difluoro-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 112751860
2-[[3-(1-aminoethyl)-2-pyridinyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 114056489
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
3-N,1-dimethyl-3-N-(2-methylbutan-2-yl)pyrazole-3,4-diamine
CID 103078545
2-[(5-amino-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107478357
2-[(1-ethylimidazol-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484406
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4,6-dimethylpyridine-3-carbothioamide
CID 107479877
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbothioamide
CID 107479884

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478379) is 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Cn1cc(N)c(N(CCO)CC(F)(F)F)n1.
What is the InChIKey of 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IAMYQXBFLHAWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O/c1-14-4-6(12)7(13-14)15(2-3-16)5-8(9,10)11/h4,16H,2-3,5,12H2,1H3.
What are the key properties of 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 238.21 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methylpyrazol-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).