1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

C11H12F3N5O — CID 133323657

IUPAC1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESCn1cc(C(O)CNc2nccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-19-6-7(4-17-19)8(20)5-16-10-15-3-2-9(18-10)11(12,13)14/h2-4,6,8,20H,5H2,1H3,(H,15,16,18)
InChIKeyDXGYVHOWLQTHSZ-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.37
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (PubChem CID 133323657) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
PubChem CID133323657
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESCn1cc(C(O)CNc2nccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H12F3N5O/c1-19-6-7(4-17-19)8(20)5-16-10-15-3-2-9(18-10)11(12,13)14/h2-4,6,8,20H,5H2,1H3,(H,15,16,18)
InChIKeyDXGYVHOWLQTHSZ-UHFFFAOYSA-N
XLogP1.37
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (CID 133323657) is 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is Cn1cc(C(O)CNc2nccc(C(F)(F)F)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is DXGYVHOWLQTHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-19-6-7(4-17-19)8(20)5-16-10-15-3-2-9(18-10)11(12,13)14/h2-4,6,8,20H,5H2,1H3,(H,15,16,18).
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 287.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 133323657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).