(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol

C14H12BrFN2OS — CID 115834771

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCn1ncc(Br)c1C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H12BrFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-5-8-3-4-9(16)6-11(8)20-12/h3-7,14,19H,2H2,1H3
InChIKeyHTJMEOLOQCMCPP-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.10
Rot. Bonds3

About (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol

(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 115834771) has the molecular formula C14H12BrFN2OS and a molecular weight of 355.23 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID115834771
Molecular FormulaC14H12BrFN2OS
Molecular Weight355.23 g/mol
Exact Mass353.98
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCn1ncc(Br)c1C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C14H12BrFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-5-8-3-4-9(16)6-11(8)20-12/h3-7,14,19H,2H2,1H3
InChIKeyHTJMEOLOQCMCPP-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(6-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
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(1-Ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
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CID 105082723
2-(1-Ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105082837
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol (CID 115834771) is (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol is CCn1ncc(Br)c1C(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is HTJMEOLOQCMCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2OS/c1-2-18-13(10(15)7-17-18)14(19)12-5-8-3-4-9(16)6-11(8)20-12/h3-7,14,19H,2H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
(4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 355.23 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115834771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).