2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

C9H9F3N4O — CID 134863245

IUPAC2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESOCCNc1cc(C(F)(F)F)n2nccc2n1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)6-5-7(13-3-4-17)15-8-1-2-14-16(6)8/h1-2,5,17H,3-4H2,(H,13,15)
InChIKeyDUJQUSLPNODSOQ-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.15
Rot. Bonds3

About 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol

2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (PubChem CID 134863245) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
PubChem CID134863245
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
SMILESOCCNc1cc(C(F)(F)F)n2nccc2n1
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)6-5-7(13-3-4-17)15-8-1-2-14-16(6)8/h1-2,5,17H,3-4H2,(H,13,15)
InChIKeyDUJQUSLPNODSOQ-UHFFFAOYSA-N
XLogP1.15
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methylpyrazolo(1,5-a)pyrimidin-7-amine
CID 24844388
2-[(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 12366049
N-Hexyl-5-methylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366052
5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366069
2-[(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 44317771
2,5-dimethyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56890277
(1S*,2S*)-2-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexanol
CID 56902986
N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56915495
5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56918516
N',N'-dimethyl-N-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 71461498
5-Trifluoromethylpyrazolo[1,5-a]pyrimidine
CID 67345747
7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 69640590

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The IUPAC name of 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol (CID 134863245) is 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol.
What is the SMILES notation for 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The canonical SMILES for 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is OCCNc1cc(C(F)(F)F)n2nccc2n1.
What is the InChIKey of 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
The InChIKey is DUJQUSLPNODSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)6-5-7(13-3-4-17)15-8-1-2-14-16(6)8/h1-2,5,17H,3-4H2,(H,13,15).
What are the key properties of 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol?
2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol has a molecular weight of 246.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol is sourced from PubChem (CID 134863245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).