2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol

C11H20F2N4O — CID 107481485

IUPAC2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
SMILESCNCc1c(C)nn(C)c1N(CCO)CC(F)F
InChIInChI=1S/C11H20F2N4O/c1-8-9(6-14-2)11(16(3)15-8)17(4-5-18)7-10(12)13/h10,14,18H,4-7H2,1-3H3
InChIKeyPZANAYHFEOTFIO-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.51
Rot. Bonds7

About 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol

2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol (PubChem CID 107481485) has the molecular formula C11H20F2N4O and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
PubChem CID107481485
Molecular FormulaC11H20F2N4O
Molecular Weight262.30 g/mol
Exact Mass262.16
IUPAC Name2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
SMILESCNCc1c(C)nn(C)c1N(CCO)CC(F)F
InChIInChI=1S/C11H20F2N4O/c1-8-9(6-14-2)11(16(3)15-8)17(4-5-18)7-10(12)13/h10,14,18H,4-7H2,1-3H3
InChIKeyPZANAYHFEOTFIO-UHFFFAOYSA-N
XLogP0.51
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol (CID 107481485) is 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol is CNCc1c(C)nn(C)c1N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol?
The InChIKey is PZANAYHFEOTFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N4O/c1-8-9(6-14-2)11(16(3)15-8)17(4-5-18)7-10(12)13/h10,14,18H,4-7H2,1-3H3.
What are the key properties of 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol?
2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol has a molecular weight of 262.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol is sourced from PubChem (CID 107481485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).