2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol

C11H11F2N3O — CID 43348943

IUPAC2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2c(F)cccc2F)nn1CCO
InChIInChI=1S/C11H11F2N3O/c12-7-2-1-3-8(13)11(7)9-6-10(14)16(15-9)4-5-17/h1-3,6,17H,4-5,14H2
InChIKeyYBZBCDXMYFWBOG-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.40
Rot. Bonds3

About 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol

2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol (PubChem CID 43348943) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol
PubChem CID43348943
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol
SMILESNc1cc(-c2c(F)cccc2F)nn1CCO
InChIInChI=1S/C11H11F2N3O/c12-7-2-1-3-8(13)11(7)9-6-10(14)16(15-9)4-5-17/h1-3,6,17H,4-5,14H2
InChIKeyYBZBCDXMYFWBOG-UHFFFAOYSA-N
XLogP1.40
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol
CID 114020305
2-[5-amino-3-(4-iodophenyl)pyrazol-1-yl]ethanol
CID 43348875
2-[5-amino-3-(5-methyl-1H-pyrazol-3-yl)pyrazol-1-yl]ethanol
CID 165499940
2-[5-amino-3-(5-bromothiophen-2-yl)pyrazol-1-yl]ethanol
CID 43348910
2-[5-amino-3-(3-bromo-5-fluorophenyl)pyrazol-1-yl]ethanol
CID 43248449
2-[5-amino-3-(4-bromo-2-methylphenyl)pyrazol-1-yl]ethanol
CID 43629979
2-[5-amino-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]ethanol
CID 116628785
2-[5-amino-3-(1-benzothiophen-2-yl)pyrazol-1-yl]ethanol
CID 61406977
2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
CID 43348917
2-(5-amino-3-quinoxalin-6-ylpyrazol-1-yl)ethanol
CID 62875713
2-(5-amino-3-quinolin-6-ylpyrazol-1-yl)ethanol
CID 62875714
2-[5-amino-3-(3-ethylthiophen-2-yl)pyrazol-1-yl]ethanol
CID 79975541

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol (CID 43348943) is 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol is Nc1cc(-c2c(F)cccc2F)nn1CCO.
What is the InChIKey of 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol?
The InChIKey is YBZBCDXMYFWBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-7-2-1-3-8(13)11(7)9-6-10(14)16(15-9)4-5-17/h1-3,6,17H,4-5,14H2.
What are the key properties of 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol?
2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol has a molecular weight of 239.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 43348943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).