3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride

C12H18Cl2N2O2S — CID 82918297

IUPAC3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride
SMILESCC(C)(C)c1nn(C2CCCC2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-12(2,3)10-9(19(14,17)18)11(13)16(15-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyZWZKZNRVWADVTJ-UHFFFAOYSA-N
MW325.26 g/mol
LogP3.88
Rot. Bonds2

About 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride

3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride (PubChem CID 82918297) has the molecular formula C12H18Cl2N2O2S and a molecular weight of 325.26 g/mol. Its IUPAC name is 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride
PubChem CID82918297
Molecular FormulaC12H18Cl2N2O2S
Molecular Weight325.26 g/mol
Exact Mass324.05
IUPAC Name3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride
SMILESCC(C)(C)c1nn(C2CCCC2)c(Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C12H18Cl2N2O2S/c1-12(2,3)10-9(19(14,17)18)11(13)16(15-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3
InChIKeyZWZKZNRVWADVTJ-UHFFFAOYSA-N
XLogP3.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-cycloheptyl-3-propan-2-ylpyrazole-4-sulfonyl chloride
CID 82918298
3-tert-butyl-5-chloro-1-(2-methylphenyl)pyrazole-4-sulfonyl chloride
CID 82916483
3-tert-butyl-5-chloro-1-(6-methylpyridazin-3-yl)pyrazole-4-sulfonyl chloride
CID 82916491
3-tert-butyl-5-chloro-1-(1,1-dioxothiolan-3-yl)pyrazole-4-carbonitrile
CID 63788772
5-chloro-1-cycloheptyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 66023050
4-chloro-1-cyclopentylpyrazole-5-sulfonyl chloride
CID 50896637
3-tert-butyl-1-cyclopentyl-N-(2,3-dichlorophenyl)pyrazole-4-sulfonamide
CID 42284198
N,3-ditert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284077
5-chloro-1-cyclohexyl-3-propan-2-ylpyrazole-4-carboxylic acid
CID 61271434
5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
CID 55032261
1-cyclohexyl-5-fluoropyrazole-4-sulfonyl chloride
CID 115049598
5-chloro-1-cycloheptyl-3-methylpyrazole-4-carboxylic acid
CID 61273239

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride?
The IUPAC name of 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride (CID 82918297) is 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride is CC(C)(C)c1nn(C2CCCC2)c(Cl)c1S(=O)(=O)Cl.
What is the InChIKey of 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride?
The InChIKey is ZWZKZNRVWADVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O2S/c1-12(2,3)10-9(19(14,17)18)11(13)16(15-10)8-6-4-5-7-8/h8H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride?
3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride has a molecular weight of 325.26 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-chloro-1-cyclopentylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 82918297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).