2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol

C12H21F3N4O — CID 107481511

IUPAC2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNCc1c(C)nn(C)c1N(CCO)CC(F)(F)F
InChIInChI=1S/C12H21F3N4O/c1-4-16-7-10-9(2)17-18(3)11(10)19(5-6-20)8-12(13,14)15/h16,20H,4-8H2,1-3H3
InChIKeyMEMQIKZRPNPLGQ-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.20
Rot. Bonds7

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

2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107481511) has the molecular formula C12H21F3N4O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107481511
Molecular FormulaC12H21F3N4O
Molecular Weight294.32 g/mol
Exact Mass294.17
IUPAC Name2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCNCc1c(C)nn(C)c1N(CCO)CC(F)(F)F
InChIInChI=1S/C12H21F3N4O/c1-4-16-7-10-9(2)17-18(3)11(10)19(5-6-20)8-12(13,14)15/h16,20H,4-8H2,1-3H3
InChIKeyMEMQIKZRPNPLGQ-UHFFFAOYSA-N
XLogP1.20
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol (CID 107481511) is 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol is CCNCc1c(C)nn(C)c1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is MEMQIKZRPNPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O/c1-4-16-7-10-9(2)17-18(3)11(10)19(5-6-20)8-12(13,14)15/h16,20H,4-8H2,1-3H3.
What are the key properties of 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol?
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 294.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107481511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).