(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

C15H14BrFN2OS — CID 105128382

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H14BrFN2OS/c1-8(2)19-14(11(16)7-18-19)15(20)13-6-9-5-10(17)3-4-12(9)21-13/h3-8,15,20H,1-2H3
InChIKeyKRBIXOOEVYIANL-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.66
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 105128382) has the molecular formula C15H14BrFN2OS and a molecular weight of 369.26 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID105128382
Molecular FormulaC15H14BrFN2OS
Molecular Weight369.26 g/mol
Exact Mass368.00
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
SMILESCC(C)n1ncc(Br)c1C(O)c1cc2cc(F)ccc2s1
InChIInChI=1S/C15H14BrFN2OS/c1-8(2)19-14(11(16)7-18-19)15(20)13-6-9-5-10(17)3-4-12(9)21-13/h3-8,15,20H,1-2H3
InChIKeyKRBIXOOEVYIANL-UHFFFAOYSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Fluoro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027812
1-(5-Fluoro-1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027848
1-(6-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027995
1-(5-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103028030
(5-Fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
(5-Fluoro-1-benzothiophen-2-yl)-(1-propylpyrazol-4-yl)methanol
CID 105080761
(1-Ethylpyrazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105081817
1-(5-Fluoro-1-benzothiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 105082723
2-(1-Ethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105082837
(5-Fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098016
(2-Ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105098161
1-(5-Fluoro-1-benzothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103397

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol (CID 105128382) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is CC(C)n1ncc(Br)c1C(O)c1cc2cc(F)ccc2s1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is KRBIXOOEVYIANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2OS/c1-8(2)19-14(11(16)7-18-19)15(20)13-6-9-5-10(17)3-4-12(9)21-13/h3-8,15,20H,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 369.26 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 105128382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).