2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol

C8H9FN4OS — CID 165492659

IUPAC2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol
SMILESNc1c(F)c(-c2ccsn2)nn1CCO
InChIInChI=1S/C8H9FN4OS/c9-6-7(5-1-4-15-12-5)11-13(2-3-14)8(6)10/h1,4,14H,2-3,10H2
InChIKeySONWPQYZLRVNSS-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.72
Rot. Bonds3

About 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol

2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol (PubChem CID 165492659) has the molecular formula C8H9FN4OS and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol
PubChem CID165492659
Molecular FormulaC8H9FN4OS
Molecular Weight228.25 g/mol
Exact Mass228.05
IUPAC Name2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol
SMILESNc1c(F)c(-c2ccsn2)nn1CCO
InChIInChI=1S/C8H9FN4OS/c9-6-7(5-1-4-15-12-5)11-13(2-3-14)8(6)10/h1,4,14H,2-3,10H2
InChIKeySONWPQYZLRVNSS-UHFFFAOYSA-N
XLogP0.72
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-3-ethyl-4-fluoropyrazol-1-yl)ethanol
CID 165499650
2-[5-amino-4-fluoro-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 165499656
2-[4,5-diamino-3-(4-methylphenyl)pyrazol-1-yl]ethanol
CID 23496372
2-[5-amino-3-(2,6-difluorophenyl)pyrazol-1-yl]ethanol
CID 43348943
2-(4,5-diamino-3-methoxypyrazol-1-yl)ethanol
CID 66769968
2-(4,5-diamino-3-methylpyrazol-1-yl)ethanol
CID 10197801
2-[5-amino-3-phenyl-4-(2-phenylethynyl)pyrazol-1-yl]ethanol;ethane
CID 144617182
2-[5-amino-3-(3-bromo-2-fluorophenyl)pyrazol-1-yl]ethanol
CID 114020305
5-amino-3-(4-ethylphenyl)-1-(2-hydroxyethyl)pyrazole-4-carbaldehyde
CID 82360347
2-[4,5-diamino-3-(aminomethyl)pyrazol-1-yl]ethanol
CID 141046532
2-(3-amino-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl)ethanol
CID 105464329
2-[5-amino-3-(3-bromo-5-fluorophenyl)pyrazol-1-yl]ethanol
CID 43248449

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol (CID 165492659) is 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol is Nc1c(F)c(-c2ccsn2)nn1CCO.
What is the InChIKey of 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol?
The InChIKey is SONWPQYZLRVNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4OS/c9-6-7(5-1-4-15-12-5)11-13(2-3-14)8(6)10/h1,4,14H,2-3,10H2.
What are the key properties of 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol?
2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 228.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-fluoro-3-(1,2-thiazol-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 165492659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).