1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

C11H13BrN2OS — CID 115828712

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ccn(C)n2)sc1Br
InChIInChI=1S/C11H13BrN2OS/c1-7-5-10(16-11(7)12)9(15)6-8-3-4-14(2)13-8/h3-5,9,15H,6H2,1-2H3
InChIKeyORNDSLYDNRPLME-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.83
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol

1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 115828712) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID115828712
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)Cc2ccn(C)n2)sc1Br
InChIInChI=1S/C11H13BrN2OS/c1-7-5-10(16-11(7)12)9(15)6-8-3-4-14(2)13-8/h3-5,9,15H,6H2,1-2H3
InChIKeyORNDSLYDNRPLME-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828801
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832380
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869812
2-(1-methylpyrazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105121099
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanol
CID 79996774
1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870137
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 107969835
1-(5-bromo-4-methylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822500
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025411
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-fluorophenyl)ethanol
CID 79996332
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 115824159
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991693

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol (CID 115828712) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is Cc1cc(C(O)Cc2ccn(C)n2)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is ORNDSLYDNRPLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-7-5-10(16-11(7)12)9(15)6-8-3-4-14(2)13-8/h3-5,9,15H,6H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 301.21 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115828712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).