2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone

C12H15ClN4OS — CID 105111157

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCCc1nn(CC)c(CC(=O)c2snnc2C)c1Cl
InChIInChI=1S/C12H15ClN4OS/c1-4-8-11(13)9(17(5-2)15-8)6-10(18)12-7(3)14-16-19-12/h4-6H2,1-3H3
InChIKeyJQLAHDYOCGKCJI-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.70
Rot. Bonds5

About 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone (PubChem CID 105111157) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone
PubChem CID105111157
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone
SMILESCCc1nn(CC)c(CC(=O)c2snnc2C)c1Cl
InChIInChI=1S/C12H15ClN4OS/c1-4-8-11(13)9(17(5-2)15-8)6-10(18)12-7(3)14-16-19-12/h4-6H2,1-3H3
InChIKeyJQLAHDYOCGKCJI-UHFFFAOYSA-N
XLogP2.70
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105111680
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CID 114031567
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105161548
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
CID 103448183
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(diethylamino)butan-2-one
CID 79077087
4-amino-1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573649
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977055
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanone
CID 106754690
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-2-one
CID 103455647
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
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2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone (CID 105111157) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone is CCc1nn(CC)c(CC(=O)c2snnc2C)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone?
The InChIKey is JQLAHDYOCGKCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-4-8-11(13)9(17(5-2)15-8)6-10(18)12-7(3)14-16-19-12/h4-6H2,1-3H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone has a molecular weight of 298.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105111157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).