5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride

C9H14Cl2N2O2S — CID 82918506

IUPAC5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(CC(C)C)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C9H14Cl2N2O2S/c1-4-7-8(16(11,14)15)9(10)13(12-7)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyZRNRGBWYLTZZQJ-UHFFFAOYSA-N
MW285.20 g/mol
LogP2.68
Rot. Bonds4

About 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride

5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride (PubChem CID 82918506) has the molecular formula C9H14Cl2N2O2S and a molecular weight of 285.20 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
PubChem CID82918506
Molecular FormulaC9H14Cl2N2O2S
Molecular Weight285.20 g/mol
Exact Mass284.02
IUPAC Name5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride
SMILESCCc1nn(CC(C)C)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C9H14Cl2N2O2S/c1-4-7-8(16(11,14)15)9(10)13(12-7)5-6(2)3/h6H,4-5H2,1-3H3
InChIKeyZRNRGBWYLTZZQJ-UHFFFAOYSA-N
XLogP2.68
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-1-ethyl-3-propylpyrazole-4-sulfonyl chloride
CID 82918944
1-butan-2-yl-5-chloro-3-(2-methylpropyl)pyrazole-4-sulfonyl chloride
CID 82919096
5-chloro-1-(2-methylsulfonylethyl)-3-propylpyrazole-4-sulfonyl chloride
CID 82919030
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82694926
5-chloro-1-(2-ethylsulfonylethyl)-3-propan-2-ylpyrazole-4-sulfonyl chloride
CID 82918522
ethyl 2-(5-chloro-4-chlorosulfonyl-3-propylpyrazol-1-yl)acetate
CID 82919175
3,5-diethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 82703146
5-chloro-3-ethyl-1-(4-fluoro-2-methylphenyl)pyrazole-4-sulfonyl chloride
CID 82918805
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
5-chloro-1-(2-cyanoethyl)-3-(methoxymethyl)pyrazole-4-sulfonyl chloride
CID 82918720
5-chloro-3-ethyl-1-(2-nitrophenyl)pyrazole-4-sulfonyl chloride
CID 82916010

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride (CID 82918506) is 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride is CCc1nn(CC(C)C)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride?
The InChIKey is ZRNRGBWYLTZZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N2O2S/c1-4-7-8(16(11,14)15)9(10)13(12-7)5-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride?
5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride has a molecular weight of 285.20 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-(2-methylpropyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).