4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole

C10H17ClN2O2S — CID 66436219

IUPAC4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole
SMILESCCCc1c(CCl)cnn1CCS(C)(=O)=O
InChIInChI=1S/C10H17ClN2O2S/c1-3-4-10-9(7-11)8-12-13(10)5-6-16(2,14)15/h8H,3-7H2,1-2H3
InChIKeyXWTYTNVKPAVULI-UHFFFAOYSA-N
MW264.78 g/mol
LogP1.62
Rot. Bonds6

About 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole

4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole (PubChem CID 66436219) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole
PubChem CID66436219
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC Name4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole
SMILESCCCc1c(CCl)cnn1CCS(C)(=O)=O
InChIInChI=1S/C10H17ClN2O2S/c1-3-4-10-9(7-11)8-12-13(10)5-6-16(2,14)15/h8H,3-7H2,1-2H3
InChIKeyXWTYTNVKPAVULI-UHFFFAOYSA-N
XLogP1.62
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole?
The IUPAC name of 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole (CID 66436219) is 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole?
The canonical SMILES for 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole is CCCc1c(CCl)cnn1CCS(C)(=O)=O.
What is the InChIKey of 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole?
The InChIKey is XWTYTNVKPAVULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2S/c1-3-4-10-9(7-11)8-12-13(10)5-6-16(2,14)15/h8H,3-7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole?
4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole has a molecular weight of 264.78 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole is sourced from PubChem (CID 66436219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).