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

C13H16Cl2N2OS — CID 103408089

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)c1scc(C)c1Cl
InChIInChI=1S/C13H16Cl2N2OS/c1-4-17-9(12(15)8(3)16-17)5-10(18)13-11(14)7(2)6-19-13/h6,10,18H,4-5H2,1-3H3
InChIKeyUPXKNCSULJHDQT-UHFFFAOYSA-N
MW319.26 g/mol
LogP4.16
Rot. Bonds4

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

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol (PubChem CID 103408089) has the molecular formula C13H16Cl2N2OS and a molecular weight of 319.26 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
PubChem CID103408089
Molecular FormulaC13H16Cl2N2OS
Molecular Weight319.26 g/mol
Exact Mass318.04
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)c1scc(C)c1Cl
InChIInChI=1S/C13H16Cl2N2OS/c1-4-17-9(12(15)8(3)16-17)5-10(18)13-11(14)7(2)6-19-13/h6,10,18H,4-5H2,1-3H3
InChIKeyUPXKNCSULJHDQT-UHFFFAOYSA-N
XLogP4.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105107414
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115813406
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 103408103
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
CID 113373073
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969729
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065771
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408238
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 103407860
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134956
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 115813255
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 115813288
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol (CID 103408089) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol is CCn1nc(C)c(Cl)c1CC(O)c1scc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
The InChIKey is UPXKNCSULJHDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2OS/c1-4-17-9(12(15)8(3)16-17)5-10(18)13-11(14)7(2)6-19-13/h6,10,18H,4-5H2,1-3H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol has a molecular weight of 319.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 103408089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).