1,3-dimethylpyrazole-4-sulfonyl chloride

C5H7ClN2O2S — CID 4635707

IUPAC1,3-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3
InChIKeyAFFSTQSBJFQGPY-UHFFFAOYSA-N
MW194.64 g/mol
LogP0.66
Rot. Bonds1

About 1,3-dimethylpyrazole-4-sulfonyl chloride

1,3-dimethylpyrazole-4-sulfonyl chloride (PubChem CID 4635707) has the molecular formula C5H7ClN2O2S and a molecular weight of 194.64 g/mol. Its IUPAC name is 1,3-dimethylpyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1,3-dimethylpyrazole-4-sulfonyl chloride
PubChem CID4635707
Molecular FormulaC5H7ClN2O2S
Molecular Weight194.64 g/mol
Exact Mass193.99
IUPAC Name1,3-dimethylpyrazole-4-sulfonyl chloride
SMILESCc1nn(C)cc1S(=O)(=O)Cl
InChIInChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3
InChIKeyAFFSTQSBJFQGPY-UHFFFAOYSA-N
XLogP0.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethylpyrazole-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

1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 6465895
1,3-Dimethyl-4-[(4-propylpiperazinyl)sulfonyl]pyrazole
CID 6466875
1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 13342783
3-Methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 19620090
N-cyclopentyl-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6468008
1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 2794561
1-Ethyl-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485338
1-(difluoromethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 6485422
1-Ethyl-3-methyl-1H-pyrazole-4-sulfonyl chloride
CID 17024580
1,5-dimethyl-1H-pyrazole-4-sulfonyl chloride
CID 17024754
3-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 19576914
1-ethyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 50896808

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole-4-sulfonyl chloride?
The IUPAC name of 1,3-dimethylpyrazole-4-sulfonyl chloride (CID 4635707) is 1,3-dimethylpyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1,3-dimethylpyrazole-4-sulfonyl chloride?
The canonical SMILES for 1,3-dimethylpyrazole-4-sulfonyl chloride is Cc1nn(C)cc1S(=O)(=O)Cl.
What is the InChIKey of 1,3-dimethylpyrazole-4-sulfonyl chloride?
The InChIKey is AFFSTQSBJFQGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3.
What are the key properties of 1,3-dimethylpyrazole-4-sulfonyl chloride?
1,3-dimethylpyrazole-4-sulfonyl chloride has a molecular weight of 194.64 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole-4-sulfonyl chloride is sourced from PubChem (CID 4635707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).