(4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol

C11H13BrN2OS — CID 102829710

IUPAC(4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1cc(Br)c(C)s1
InChIInChI=1S/C11H13BrN2OS/c1-3-14-9(4-5-13-14)11(15)10-6-8(12)7(2)16-10/h4-6,11,15H,3H2,1-2H3
InChIKeyMCYFWKHSMJCCJC-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.12
Rot. Bonds3

About (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol

(4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol (PubChem CID 102829710) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
PubChem CID102829710
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1cc(Br)c(C)s1
InChIInChI=1S/C11H13BrN2OS/c1-3-14-9(4-5-13-14)11(15)10-6-8(12)7(2)16-10/h4-6,11,15H,3H2,1-2H3
InChIKeyMCYFWKHSMJCCJC-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9816767
Dilopetine, (S)-
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1-[5-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]ethanol
CID 164050918
Dilopetine, (R)-
CID 9900003
2,2,2-Trifluoro-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]ethanol
CID 101488939
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CID 105128052
(4-Bromo-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105128382
(4-Bromo-1-methylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105132489
1-(4-Bromo-1-methylpyrazol-5-yl)-2-(3-fluorophenyl)sulfanylethanol
CID 113612121
1-(4-Bromo-1-methylpyrazol-5-yl)-2-(4-fluorophenyl)sulfanylethanol
CID 113612123
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CID 114635098

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol (CID 102829710) is (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)c1cc(Br)c(C)s1.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is MCYFWKHSMJCCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-3-14-9(4-5-13-14)11(15)10-6-8(12)7(2)16-10/h4-6,11,15H,3H2,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
(4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 301.21 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 102829710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).