2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol

C6H8F3N3O — CID 11687054

IUPAC2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol
SMILESOCCNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)4-3-5(12-11-4)10-1-2-13/h3,13H,1-2H2,(H2,10,11,12)
InChIKeyOTPAFCBTGXMSEJ-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.83
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol

2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol (PubChem CID 11687054) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol
PubChem CID11687054
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol
SMILESOCCNc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C6H8F3N3O/c7-6(8,9)4-3-5(12-11-4)10-1-2-13/h3,13H,1-2H2,(H2,10,11,12)
InChIKeyOTPAFCBTGXMSEJ-UHFFFAOYSA-N
XLogP0.83
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol?
The IUPAC name of 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol (CID 11687054) is 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol is OCCNc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol?
The InChIKey is OTPAFCBTGXMSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O/c7-6(8,9)4-3-5(12-11-4)10-1-2-13/h3,13H,1-2H2,(H2,10,11,12).
What are the key properties of 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol?
2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol has a molecular weight of 195.14 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]ethanol is sourced from PubChem (CID 11687054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).