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

C10H17F2N3O — CID 107485053

IUPAC2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(CCO)CC(F)F)n(C)n1
InChIInChI=1S/C10H17F2N3O/c1-8-5-9(14(2)13-8)6-15(3-4-16)7-10(11)12/h5,10,16H,3-4,6-7H2,1-2H3
InChIKeyDFXWUAUBYSFUHP-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.79
Rot. Bonds6

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

2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol (PubChem CID 107485053) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol
PubChem CID107485053
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol
SMILESCc1cc(CN(CCO)CC(F)F)n(C)n1
InChIInChI=1S/C10H17F2N3O/c1-8-5-9(14(2)13-8)6-15(3-4-16)7-10(11)12/h5,10,16H,3-4,6-7H2,1-2H3
InChIKeyDFXWUAUBYSFUHP-UHFFFAOYSA-N
XLogP0.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2-difluoroethanamine
CID 107487595
N-(2-bromoethyl)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487497
5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol
CID 107203759
2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 107485701
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946
2-[2,2-difluoroethyl-[(2,6-dimethylphenyl)methyl]amino]ethanol
CID 107485375
2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485069
2-[2,2-difluoroethyl(1,3-thiazol-5-ylmethyl)amino]ethanol
CID 107485139
1-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 79389441
2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479153
2-[2,2-difluoroethyl-[(1-phenylpyrazol-3-yl)methyl]amino]ethanol
CID 107485726
1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 113285556

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol (CID 107485053) is 2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol is Cc1cc(CN(CCO)CC(F)F)n(C)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol?
The InChIKey is DFXWUAUBYSFUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-8-5-9(14(2)13-8)6-15(3-4-16)7-10(11)12/h5,10,16H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol has a molecular weight of 233.26 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).