2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C11H19F3N4O — CID 107478288

IUPAC2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1nn(C)c(N(CCO)CC(F)(F)F)c1N
InChIInChI=1S/C11H19F3N4O/c1-3-4-8-9(15)10(17(2)16-8)18(5-6-19)7-11(12,13)14/h19H,3-7,15H2,1-2H3
InChIKeyWROHOWACRGYGJG-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.32
Rot. Bonds6

About 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107478288) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107478288
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCCc1nn(C)c(N(CCO)CC(F)(F)F)c1N
InChIInChI=1S/C11H19F3N4O/c1-3-4-8-9(15)10(17(2)16-8)18(5-6-19)7-11(12,13)14/h19H,3-7,15H2,1-2H3
InChIKeyWROHOWACRGYGJG-UHFFFAOYSA-N
XLogP1.32
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107478288) is 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is CCCc1nn(C)c(N(CCO)CC(F)(F)F)c1N.
What is the InChIKey of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is WROHOWACRGYGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-3-4-8-9(15)10(17(2)16-8)18(5-6-19)7-11(12,13)14/h19H,3-7,15H2,1-2H3.
What are the key properties of 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 280.29 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107478288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).