2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

C9H15F2N3O — CID 107485701

IUPAC2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCn1cc(CN(CCO)CC(F)F)cn1
InChIInChI=1S/C9H15F2N3O/c1-13-5-8(4-12-13)6-14(2-3-15)7-9(10)11/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyBANRYCLIICIZSC-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.48
Rot. Bonds6

About 2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (PubChem CID 107485701) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
PubChem CID107485701
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCn1cc(CN(CCO)CC(F)F)cn1
InChIInChI=1S/C9H15F2N3O/c1-13-5-8(4-12-13)6-14(2-3-15)7-9(10)11/h4-5,9,15H,2-3,6-7H2,1H3
InChIKeyBANRYCLIICIZSC-UHFFFAOYSA-N
XLogP0.48
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-methylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109884
2-[(5-bromo-2-fluorophenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 110932126
3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile
CID 60691101
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 46995292
2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
CID 110881469
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 132968617
ethane;4-ethyl-1-methylpyrazole
CID 143829284
N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
CID 62127234

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (CID 107485701) is 2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is Cn1cc(CN(CCO)CC(F)F)cn1.
What is the InChIKey of 2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The InChIKey is BANRYCLIICIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-13-5-8(4-12-13)6-14(2-3-15)7-9(10)11/h4-5,9,15H,2-3,6-7H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol has a molecular weight of 219.24 g/mol, XLogP of 0.48, 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-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 107485701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).