2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol

C13H16FN3O — CID 103570268

IUPAC2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol
SMILESCCn1cc(C(CO)Nc2cccc(F)c2)cn1
InChIInChI=1S/C13H16FN3O/c1-2-17-8-10(7-15-17)13(9-18)16-12-5-3-4-11(14)6-12/h3-8,13,16,18H,2,9H2,1H3
InChIKeyFAPKOLFBWASFHT-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.19
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol

2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol (PubChem CID 103570268) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol
PubChem CID103570268
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol
SMILESCCn1cc(C(CO)Nc2cccc(F)c2)cn1
InChIInChI=1S/C13H16FN3O/c1-2-17-8-10(7-15-17)13(9-18)16-12-5-3-4-11(14)6-12/h3-8,13,16,18H,2,9H2,1H3
InChIKeyFAPKOLFBWASFHT-UHFFFAOYSA-N
XLogP2.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571920
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol
CID 103570282
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)ethanol
CID 81440489
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
(2,4-difluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63083868
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoroanilino)ethanol
CID 61048704
2-(1-ethylpyrazol-4-yl)oxy-N-(3-fluorophenyl)acetamide
CID 91636359
(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
CID 103788757
1-(1-ethylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 103569661

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol (CID 103570268) is 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol is CCn1cc(C(CO)Nc2cccc(F)c2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol?
The InChIKey is FAPKOLFBWASFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-17-8-10(7-15-17)13(9-18)16-12-5-3-4-11(14)6-12/h3-8,13,16,18H,2,9H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol?
2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol has a molecular weight of 249.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol is sourced from PubChem (CID 103570268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).