2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C10H16F3N3O — CID 107485759

IUPAC2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc(CN(CCO)CC(F)(F)F)n(C)n1
InChIInChI=1S/C10H16F3N3O/c1-8-5-9(15(2)14-8)6-16(3-4-17)7-10(11,12)13/h5,17H,3-4,6-7H2,1-2H3
InChIKeyIKSDZSZMRLECIP-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.09
Rot. Bonds5

About 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485759) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485759
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc(CN(CCO)CC(F)(F)F)n(C)n1
InChIInChI=1S/C10H16F3N3O/c1-8-5-9(15(2)14-8)6-16(3-4-17)7-10(11,12)13/h5,17H,3-4,6-7H2,1-2H3
InChIKeyIKSDZSZMRLECIP-UHFFFAOYSA-N
XLogP1.09
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107485759) is 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is Cc1cc(CN(CCO)CC(F)(F)F)n(C)n1.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is IKSDZSZMRLECIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-8-5-9(15(2)14-8)6-16(3-4-17)7-10(11,12)13/h5,17H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 251.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).