4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole

C18H17ClN2O2S — CID 19355863

IUPAC4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole
SMILESCCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C18H17ClN2O2S/c1-3-21-12-17(13-4-8-15(19)9-5-13)18(20-21)14-6-10-16(11-7-14)24(2,22)23/h4-12H,3H2,1-2H3
InChIKeyWILAGSCXWKTENV-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.29
Rot. Bonds4

About 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole

4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole (PubChem CID 19355863) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole
PubChem CID19355863
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC Name4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole
SMILESCCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C18H17ClN2O2S/c1-3-21-12-17(13-4-8-15(19)9-5-13)18(20-21)14-6-10-16(11-7-14)24(2,22)23/h4-12H,3H2,1-2H3
InChIKeyWILAGSCXWKTENV-UHFFFAOYSA-N
XLogP4.29
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole?
The IUPAC name of 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole (CID 19355863) is 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole.
What is the SMILES notation for 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole?
The canonical SMILES for 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole is CCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole?
The InChIKey is WILAGSCXWKTENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-3-21-12-17(13-4-8-15(19)9-5-13)18(20-21)14-6-10-16(11-7-14)24(2,22)23/h4-12H,3H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole?
4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole has a molecular weight of 360.87 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-ethyl-3-(4-methylsulfonylphenyl)pyrazole is sourced from PubChem (CID 19355863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).