1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol

C12H14BrClN2OS — CID 115832380

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1cc(C(O)Cc2c(C)nn(C)c2Cl)sc1Br
InChIInChI=1S/C12H14BrClN2OS/c1-6-4-10(18-11(6)13)9(17)5-8-7(2)15-16(3)12(8)14/h4,9,17H,5H2,1-3H3
InChIKeyMXDZFWLZNLCZRU-UHFFFAOYSA-N
MW349.68 g/mol
LogP3.79
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol

1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 115832380) has the molecular formula C12H14BrClN2OS and a molecular weight of 349.68 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID115832380
Molecular FormulaC12H14BrClN2OS
Molecular Weight349.68 g/mol
Exact Mass347.97
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1cc(C(O)Cc2c(C)nn(C)c2Cl)sc1Br
InChIInChI=1S/C12H14BrClN2OS/c1-6-4-10(18-11(6)13)9(17)5-8-7(2)15-16(3)12(8)14/h4,9,17H,5H2,1-3H3
InChIKeyMXDZFWLZNLCZRU-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.68
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828712
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dibromophenyl)ethanol
CID 115832431
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408238
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105125344
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832418
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 107969013
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
[1-(4-bromo-3-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 105334045
1-(5-bromo-4-methylthiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 115822500
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115832346
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970575

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol (CID 115832380) is 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol is Cc1cc(C(O)Cc2c(C)nn(C)c2Cl)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is MXDZFWLZNLCZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2OS/c1-6-4-10(18-11(6)13)9(17)5-8-7(2)15-16(3)12(8)14/h4,9,17H,5H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol?
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 349.68 g/mol, XLogP of 3.79, 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-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115832380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).