2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol

C10H16F3N3O — CID 112670677

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCCc1nn(C)cc1C(CO)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-3-8-7(4-16(2)15-8)9(5-17)14-6-10(11,12)13/h4,9,14,17H,3,5-6H2,1-2H3
InChIKeyMOGOAPIZSFUELU-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.17
Rot. Bonds5

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

2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 112670677) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID112670677
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCCc1nn(C)cc1C(CO)NCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-3-8-7(4-16(2)15-8)9(5-17)14-6-10(11,12)13/h4,9,14,17H,3,5-6H2,1-2H3
InChIKeyMOGOAPIZSFUELU-UHFFFAOYSA-N
XLogP1.17
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 112670677) is 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is CCc1nn(C)cc1C(CO)NCC(F)(F)F.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is MOGOAPIZSFUELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-3-8-7(4-16(2)15-8)9(5-17)14-6-10(11,12)13/h4,9,14,17H,3,5-6H2,1-2H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 251.25 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 112670677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).