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

C12H14Cl2N2OS — CID 103408238

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
SMILESCc1csc(C(O)Cc2c(C)nn(C)c2Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2OS/c1-6-5-18-11(10(6)13)9(17)4-8-7(2)15-16(3)12(8)14/h5,9,17H,4H2,1-3H3
InChIKeyNZTVCBFSQBZBIG-UHFFFAOYSA-N
MW305.23 g/mol
LogP3.68
Rot. Bonds3

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

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol (PubChem CID 103408238) has the molecular formula C12H14Cl2N2OS and a molecular weight of 305.23 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
PubChem CID103408238
Molecular FormulaC12H14Cl2N2OS
Molecular Weight305.23 g/mol
Exact Mass304.02
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
SMILESCc1csc(C(O)Cc2c(C)nn(C)c2Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2OS/c1-6-5-18-11(10(6)13)9(17)4-8-7(2)15-16(3)12(8)14/h5,9,17H,4H2,1-3H3
InChIKeyNZTVCBFSQBZBIG-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065771
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105125386
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408089
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832380
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105125344
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 103407860
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115832346
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 103408103
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-pyrimidin-4-ylethanol
CID 113470079

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol (CID 103408238) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol is Cc1csc(C(O)Cc2c(C)nn(C)c2Cl)c1Cl.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The InChIKey is NZTVCBFSQBZBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2OS/c1-6-5-18-11(10(6)13)9(17)4-8-7(2)15-16(3)12(8)14/h5,9,17H,4H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol has a molecular weight of 305.23 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 103408238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).