3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride

C10H13ClN4O3S — CID 82914458

IUPAC3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(Cc2ncon2)c(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClN4O3S/c1-3-7-10(19(11,16)17)8(4-2)15(13-7)5-9-12-6-18-14-9/h6H,3-5H2,1-2H3
InChIKeyRBOKYRKMFKGVQR-UHFFFAOYSA-N
MW304.76 g/mol
LogP1.37
Rot. Bonds5

About 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride

3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride (PubChem CID 82914458) has the molecular formula C10H13ClN4O3S and a molecular weight of 304.76 g/mol. Its IUPAC name is 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride
PubChem CID82914458
Molecular FormulaC10H13ClN4O3S
Molecular Weight304.76 g/mol
Exact Mass304.04
IUPAC Name3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(Cc2ncon2)c(CC)c1S(=O)(=O)Cl
InChIInChI=1S/C10H13ClN4O3S/c1-3-7-10(19(11,16)17)8(4-2)15(13-7)5-9-12-6-18-14-9/h6H,3-5H2,1-2H3
InChIKeyRBOKYRKMFKGVQR-UHFFFAOYSA-N
XLogP1.37
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-diethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 82876082
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82915931
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82694926
3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazole-4-sulfonyl chloride
CID 103036320
3,5-diethyl-1-(3-pyrrolidin-1-ylpropyl)pyrazole-4-sulfonyl chloride
CID 82916570
3,5-diethyl-1-[(4-methylmorpholin-2-yl)methyl]pyrazole-4-sulfonyl chloride
CID 82912297
1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82914321
3-[[5-(2-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]methyl]-1,2,4-oxadiazole
CID 106407034
3-[[5-(chloromethyl)triazol-1-yl]methyl]-1,2,4-oxadiazole
CID 130566628
5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 82918506
1-butyl-3,5-diethylpyrazole-4-sulfonamide
CID 82700722
ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate
CID 103106248

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride (CID 82914458) is 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride is CCc1nn(Cc2ncon2)c(CC)c1S(=O)(=O)Cl.
What is the InChIKey of 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride?
The InChIKey is RBOKYRKMFKGVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3S/c1-3-7-10(19(11,16)17)8(4-2)15(13-7)5-9-12-6-18-14-9/h6H,3-5H2,1-2H3.
What are the key properties of 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride?
3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride has a molecular weight of 304.76 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82914458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).