3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride

C8H11ClN2O2S — CID 63354299

IUPAC3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride
SMILESCCn1nc(C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H11ClN2O2S/c1-2-11-8(14(9,12)13)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyOOVFMHPMQSVQBG-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.71
Rot. Bonds3

About 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride

3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride (PubChem CID 63354299) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride
PubChem CID63354299
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride
SMILESCCn1nc(C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C8H11ClN2O2S/c1-2-11-8(14(9,12)13)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyOOVFMHPMQSVQBG-UHFFFAOYSA-N
XLogP1.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-methyl-1H-pyrazole-4-sulfonyl chloride
CID 117764486
3-cyclopropyl-1-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 138039643
1-Cyclopentyl-3-methyl-1H-pyrazole-5-sulfonyl chloride
CID 50896624
3-cyclopropyl-1-methyl-1H-pyrazole-5-sulfonamide
CID 63354351
1-Chloro-4-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine
CID 122430662
1-(2-Methylsulfonylethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 130210325
3-(1,1-difluoroethyl)-1-methyl-1H-pyrazole-5-sulfonyl chloride
CID 165981926
3-(2-Fluoropropan-2-yl)-5-methyl-1-(2-methylsulfonylethyl)pyrazole
CID 170239142
1-[(3-Cyclopropyl-1-methylpyrazol-5-yl)sulfonyl-difluoromethyl]piperidine;hydrochloride
CID 176014207
5-Cyclopropyl-1-(2-methyl-2-methylsulfonylpropyl)-3-(trifluoromethyl)pyrazole
CID 138056786
3-cyclopropyl-1-methyl-5-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]sulfonylpyrazole
CID 139016703
1-Butyl-4-[(5-cyclopropyl-2-methylpyrazol-3-yl)sulfonyl-difluoromethyl]piperidine
CID 159754878

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride?
The IUPAC name of 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride (CID 63354299) is 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride.
What is the SMILES notation for 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride?
The canonical SMILES for 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride is CCn1nc(C2CC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride?
The InChIKey is OOVFMHPMQSVQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-2-11-8(14(9,12)13)5-7(10-11)6-3-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride?
3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride has a molecular weight of 234.71 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-ethylpyrazole-5-sulfonyl chloride is sourced from PubChem (CID 63354299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).