1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C16H17FN2OS — CID 105103397

IUPAC1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cc3cc(F)ccc3s2)n1
InChIInChI=1S/C16H17FN2OS/c1-10(2)19-6-5-13(18-19)9-14(20)16-8-11-7-12(17)3-4-15(11)21-16/h3-8,10,14,20H,9H2,1-2H3
InChIKeyFRXDMZIGJUKXOW-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.09
Rot. Bonds4

About 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 105103397) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID105103397
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cc3cc(F)ccc3s2)n1
InChIInChI=1S/C16H17FN2OS/c1-10(2)19-6-5-13(18-19)9-14(20)16-8-11-7-12(17)3-4-15(11)21-16/h3-8,10,14,20H,9H2,1-2H3
InChIKeyFRXDMZIGJUKXOW-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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](thiophen-3-yl)methanol
CID 10317646
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10407417
(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-3-yl)methanol
CID 10478638
(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
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](1-benzothiophen-3-yl)methanol
CID 23648200
(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
Benzo[b]thiophen-3-yl-[(4aR,5S)-1-(4-fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-methanol
CID 44394927
(R)-[(4aR)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-(1-benzothiophen-3-yl)methanol
CID 45486455

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 105103397) is 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)c2cc3cc(F)ccc3s2)n1.
What is the InChIKey of 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is FRXDMZIGJUKXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10(2)19-6-5-13(18-19)9-14(20)16-8-11-7-12(17)3-4-15(11)21-16/h3-8,10,14,20H,9H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 304.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 105103397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).