2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

C16H17FN2OS — CID 105109599

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H17FN2OS/c1-3-19-13(6-10(2)18-19)9-14(20)16-8-11-7-12(17)4-5-15(11)21-16/h4-8,14,20H,3,9H2,1-2H3
InChIKeyLGLRJFUDIGCIDN-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.84
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (PubChem CID 105109599) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
PubChem CID105109599
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
SMILESCCn1nc(C)cc1CC(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C16H17FN2OS/c1-3-19-13(6-10(2)18-19)9-14(20)16-8-11-7-12(17)4-5-15(11)21-16/h4-8,14,20H,3,9H2,1-2H3
InChIKeyLGLRJFUDIGCIDN-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 10048339
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 10410448
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](1-benzothiophen-2-yl)methanol
CID 23648197
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](1-benzothiophen-2-yl)methanol
CID 23648198
Cyclopenta[f]indazole, 15
CID 23648199
1-(6-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027995
(R)-1-(1-benzothiophen-3-yl)-2-(1-isopropyl-3,5-dimethyl-4-pyrazolylsulfonylamino)-1-ethanol
CID 100726359
alpha-[[Methyl[[5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methyl]amino]methyl]-benzenemethanol
CID 10000765
[(4aS,5R)-5-fluoro-1-(4-fluorophenyl)-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]-(1-benzothiophen-3-yl)methanol
CID 10253097
(1R)-2-[(4aR,5R)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-(1-benzothiophen-3-yl)ethanol
CID 10434298
(1R)-2-[(4aR,5R)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-(1-benzothiophen-3-yl)ethanol
CID 10478639
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-3-ylethanol
CID 15604813

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol (CID 105109599) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is CCn1nc(C)cc1CC(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
The InChIKey is LGLRJFUDIGCIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-3-19-13(6-10(2)18-19)9-14(20)16-8-11-7-12(17)4-5-15(11)21-16/h4-8,14,20H,3,9H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol has a molecular weight of 304.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 105109599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).