5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole

C19H14ClFN4S — CID 156756968

IUPAC5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole
SMILESCSc1nn(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1-n1ccnc1
InChIInChI=1S/C19H14ClFN4S/c1-26-19-18(24-11-10-22-12-24)17(13-2-4-14(20)5-3-13)25(23-19)16-8-6-15(21)7-9-16/h2-12H,1H3
InChIKeyHSEHXYCYNFLGRG-UHFFFAOYSA-N
MW384.87 g/mol
LogP5.24
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole

5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole (PubChem CID 156756968) has the molecular formula C19H14ClFN4S and a molecular weight of 384.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole
PubChem CID156756968
Molecular FormulaC19H14ClFN4S
Molecular Weight384.87 g/mol
Exact Mass384.06
IUPAC Name5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole
SMILESCSc1nn(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1-n1ccnc1
InChIInChI=1S/C19H14ClFN4S/c1-26-19-18(24-11-10-22-12-24)17(13-2-4-14(20)5-3-13)25(23-19)16-8-6-15(21)7-9-16/h2-12H,1H3
InChIKeyHSEHXYCYNFLGRG-UHFFFAOYSA-N
XLogP5.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole 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 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole (CID 156756968) is 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole is CSc1nn(-c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1-n1ccnc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole?
The InChIKey is HSEHXYCYNFLGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4S/c1-26-19-18(24-11-10-22-12-24)17(13-2-4-14(20)5-3-13)25(23-19)16-8-6-15(21)7-9-16/h2-12H,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole?
5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole has a molecular weight of 384.87 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(4-fluorophenyl)-4-imidazol-1-yl-3-methylsulfanylpyrazole is sourced from PubChem (CID 156756968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).