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

C15H14BrFN2OS — CID 115835038

IUPAC(4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14BrFN2OS/c1-2-5-19-14(11(16)8-18-19)15(20)13-6-9-3-4-10(17)7-12(9)21-13/h3-4,6-8,15,20H,2,5H2,1H3
InChIKeyMISGNXCCZICKFF-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.49
Rot. Bonds4

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

(4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 115835038) has the molecular formula C15H14BrFN2OS and a molecular weight of 369.26 g/mol. Its IUPAC name is (4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID115835038
Molecular FormulaC15H14BrFN2OS
Molecular Weight369.26 g/mol
Exact Mass368.00
IUPAC Name(4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCCn1ncc(Br)c1C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H14BrFN2OS/c1-2-5-19-14(11(16)8-18-19)15(20)13-6-9-3-4-10(17)7-12(9)21-13/h3-4,6-8,15,20H,2,5H2,1H3
InChIKeyMISGNXCCZICKFF-UHFFFAOYSA-N
XLogP4.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15604815
1-(1-benzothiophen-3-yl)-2-[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanol
CID 66919349
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1-(6-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
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1-(5-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
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(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
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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
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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol (CID 115835038) is (4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol is CCCn1ncc(Br)c1C(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of (4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is MISGNXCCZICKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2OS/c1-2-5-19-14(11(16)8-18-19)15(20)13-6-9-3-4-10(17)7-12(9)21-13/h3-4,6-8,15,20H,2,5H2,1H3.
What are the key properties of (4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
(4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 369.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115835038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).