2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C9H14F3N3O — CID 83091812

IUPAC2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1nn(C)cc1C(CO)NCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-6-7(3-15(2)14-6)8(4-16)13-5-9(10,11)12/h3,8,13,16H,4-5H2,1-2H3
InChIKeyGLTPNJHLGWRUMH-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.91
Rot. Bonds4

About 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 83091812) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID83091812
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1nn(C)cc1C(CO)NCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-6-7(3-15(2)14-6)8(4-16)13-5-9(10,11)12/h3,8,13,16H,4-5H2,1-2H3
InChIKeyGLTPNJHLGWRUMH-UHFFFAOYSA-N
XLogP0.91
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 83091812) is 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is Cc1nn(C)cc1C(CO)NCC(F)(F)F.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is GLTPNJHLGWRUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-6-7(3-15(2)14-6)8(4-16)13-5-9(10,11)12/h3,8,13,16H,4-5H2,1-2H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 237.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 83091812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).