5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride

C8H12Cl2N2O2S — CID 82918944

IUPAC5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride
SMILESCCCc1nn(CC)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C8H12Cl2N2O2S/c1-3-5-6-7(15(10,13)14)8(9)12(4-2)11-6/h3-5H2,1-2H3
InChIKeyRGTAMIMLJPWVBR-UHFFFAOYSA-N
MW271.17 g/mol
LogP2.44
Rot. Bonds4

About 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride

5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride (PubChem CID 82918944) has the molecular formula C8H12Cl2N2O2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride
PubChem CID82918944
Molecular FormulaC8H12Cl2N2O2S
Molecular Weight271.17 g/mol
Exact Mass270.00
IUPAC Name5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride
SMILESCCCc1nn(CC)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C8H12Cl2N2O2S/c1-3-5-6-7(15(10,13)14)8(9)12(4-2)11-6/h3-5H2,1-2H3
InChIKeyRGTAMIMLJPWVBR-UHFFFAOYSA-N
XLogP2.44
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(2-methylsulfonylethyl)-3-propylpyrazole-4-sulfonyl chloride
CID 82919030
ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate
CID 82919175
5-chloro-1-(4,6-dimethylpyrimidin-2-yl)-3-propylpyrazole-4-sulfonyl chloride
CID 82916477
5-chloro-1-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrazole-4-sulfonyl chloride
CID 82915847
5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 82918506
5-chloro-1-(2,4-dichlorophenyl)-3-propylpyrazole-4-sulfonyl chloride
CID 82916014
5-chloro-1-(6-methylpyridazin-3-yl)-3-propylpyrazole-4-sulfonyl chloride
CID 82918302
5-chloro-1-(2-cyanoethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
CID 82918720
1-ethyl-3-propan-2-ylpyrazole-5-sulfonyl chloride
CID 62409302
5-chloro-1-(4-chlorophenyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
CID 82918646
1-butan-2-yl-5-chloro-3-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 82919096
5-chloro-1-(2-ethylsulfonylethyl)-3-propan-2-ylpyrazole-4-sulfonyl chloride
CID 82918522

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride (CID 82918944) is 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride is CCCc1nn(CC)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride?
The InChIKey is RGTAMIMLJPWVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N2O2S/c1-3-5-6-7(15(10,13)14)8(9)12(4-2)11-6/h3-5H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride?
5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride has a molecular weight of 271.17 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).