5-methyl-1H-pyrazole-4-sulfonyl chloride

C4H5ClN2O2S — CID 50987638

IUPAC5-methyl-1H-pyrazole-4-sulfonyl chloride
SMILESCc1[nH]ncc1S(=O)(=O)Cl
InChIInChI=1S/C4H5ClN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyHAIPHBVEKLIHCB-UHFFFAOYSA-N
MW180.62 g/mol
LogP0.65
Rot. Bonds1

About 5-methyl-1H-pyrazole-4-sulfonyl chloride

5-methyl-1H-pyrazole-4-sulfonyl chloride (PubChem CID 50987638) has the molecular formula C4H5ClN2O2S and a molecular weight of 180.62 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-methyl-1H-pyrazole-4-sulfonyl chloride
PubChem CID50987638
Molecular FormulaC4H5ClN2O2S
Molecular Weight180.62 g/mol
Exact Mass179.98
IUPAC Name5-methyl-1H-pyrazole-4-sulfonyl chloride
SMILESCc1[nH]ncc1S(=O)(=O)Cl
InChIInChI=1S/C4H5ClN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyHAIPHBVEKLIHCB-UHFFFAOYSA-N
XLogP0.65
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.62
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1H-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-methyl-1H-pyrazole-4-sulfonamide
CID 60911472
3-(trifluoromethyl)-1H-pyrazole-4-sulfonyl chloride
CID 97949439
3-(1-Methylethyl)-1H-pyrazole-4-sulfonyl chloride
CID 61394743
5-methyl-1H-pyrazole-4-sulfonyl fluoride
CID 154578265
3-methyl-1H-pyrazole-4-thiol
CID 68374600
4-Thiocyanato-methylpyrazole
CID 129748059
N-(2-methoxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912485
3-(Trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 130643902
4-methylsulfonyl-5-(trifluoromethyl)-1H-pyrazole
CID 131124167
5-methyl-4-(trifluoromethylsulfinyl)-1H-pyrazole
CID 149991623
5-methyl-4-(trifluoromethylsulfonyl)-1H-pyrazole
CID 177724420
N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54877071

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazole-4-sulfonyl chloride?
The IUPAC name of 5-methyl-1H-pyrazole-4-sulfonyl chloride (CID 50987638) is 5-methyl-1H-pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 5-methyl-1H-pyrazole-4-sulfonyl chloride?
The canonical SMILES for 5-methyl-1H-pyrazole-4-sulfonyl chloride is Cc1[nH]ncc1S(=O)(=O)Cl.
What is the InChIKey of 5-methyl-1H-pyrazole-4-sulfonyl chloride?
The InChIKey is HAIPHBVEKLIHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O2S/c1-3-4(2-6-7-3)10(5,8)9/h2H,1H3,(H,6,7).
What are the key properties of 5-methyl-1H-pyrazole-4-sulfonyl chloride?
5-methyl-1H-pyrazole-4-sulfonyl chloride has a molecular weight of 180.62 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 50987638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).