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

C12H22F2N4O — CID 107481385

IUPAC2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
SMILESCCNCc1c(C)nn(C)c1N(CCO)CC(F)F
InChIInChI=1S/C12H22F2N4O/c1-4-15-7-10-9(2)16-17(3)12(10)18(5-6-19)8-11(13)14/h11,15,19H,4-8H2,1-3H3
InChIKeyZHMCEFYIZCONEF-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.90
Rot. Bonds8

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

2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol (PubChem CID 107481385) has the molecular formula C12H22F2N4O and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
PubChem CID107481385
Molecular FormulaC12H22F2N4O
Molecular Weight276.33 g/mol
Exact Mass276.18
IUPAC Name2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol
SMILESCCNCc1c(C)nn(C)c1N(CCO)CC(F)F
InChIInChI=1S/C12H22F2N4O/c1-4-15-7-10-9(2)16-17(3)12(10)18(5-6-19)8-11(13)14/h11,15,19H,4-8H2,1-3H3
InChIKeyZHMCEFYIZCONEF-UHFFFAOYSA-N
XLogP0.90
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)piperidin-4-amine
CID 51105307
[1-methyl-5-morpholino-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine
CID 1485639
1-Butyl-3-[2-(2-hydroxyethyl)-4,5-dimethylpyrazol-3-yl]urea
CID 71907571
2-[3-[4-Methyl-5-(2-methylhydrazinyl)-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 123345500
3-[5-Amino-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 152009278
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008674
1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008876
4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008928
N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009217
N-ethyl-4-(ethylaminomethyl)-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009264
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55009267
[5-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 55010533

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol (CID 107481385) is 2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol is CCNCc1c(C)nn(C)c1N(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol?
The InChIKey is ZHMCEFYIZCONEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N4O/c1-4-15-7-10-9(2)16-17(3)12(10)18(5-6-19)8-11(13)14/h11,15,19H,4-8H2,1-3H3.
What are the key properties of 2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol?
2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol has a molecular weight of 276.33 g/mol, XLogP of 0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]amino]ethanol is sourced from PubChem (CID 107481385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).