3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole

C12H18ClFN2O2S — CID 122496672

IUPAC3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole
SMILESCn1nc(Cl)cc1S(=O)(=O)C(C)(F)C1CCCCC1
InChIInChI=1S/C12H18ClFN2O2S/c1-12(14,9-6-4-3-5-7-9)19(17,18)11-8-10(13)15-16(11)2/h8-9H,3-7H2,1-2H3
InChIKeyZISHOMABPYFGMY-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole

3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole (PubChem CID 122496672) has the molecular formula C12H18ClFN2O2S and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole.

Molecular Properties

Compound Name3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole
PubChem CID122496672
Molecular FormulaC12H18ClFN2O2S
Molecular Weight308.81 g/mol
Exact Mass308.08
IUPAC Name3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole
SMILESCn1nc(Cl)cc1S(=O)(=O)C(C)(F)C1CCCCC1
InChIInChI=1S/C12H18ClFN2O2S/c1-12(14,9-6-4-3-5-7-9)19(17,18)11-8-10(13)15-16(11)2/h8-9H,3-7H2,1-2H3
InChIKeyZISHOMABPYFGMY-UHFFFAOYSA-N
XLogP3.11
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole 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 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole?
The IUPAC name of 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole (CID 122496672) is 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole.
What is the SMILES notation for 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole?
The canonical SMILES for 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole is Cn1nc(Cl)cc1S(=O)(=O)C(C)(F)C1CCCCC1.
What is the InChIKey of 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole?
The InChIKey is ZISHOMABPYFGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O2S/c1-12(14,9-6-4-3-5-7-9)19(17,18)11-8-10(13)15-16(11)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole?
3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole has a molecular weight of 308.81 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-cyclohexyl-1-fluoroethyl)sulfonyl-1-methylpyrazole is sourced from PubChem (CID 122496672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).