4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole

C24H14Cl2FN3S — CID 45277096

IUPAC4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole
SMILESFc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)cs3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H14Cl2FN3S/c25-17-5-1-15(2-6-17)22-14-31-24(28-22)21-13-23(16-3-7-18(26)8-4-16)30(29-21)20-11-9-19(27)10-12-20/h1-14H
InChIKeyOYDJWNGGDHKXBR-UHFFFAOYSA-N
MW466.37 g/mol
LogP7.78
Rot. Bonds4

About 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole

4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole (PubChem CID 45277096) has the molecular formula C24H14Cl2FN3S and a molecular weight of 466.37 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole
PubChem CID45277096
Molecular FormulaC24H14Cl2FN3S
Molecular Weight466.37 g/mol
Exact Mass465.03
IUPAC Name4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole
SMILESFc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)cs3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H14Cl2FN3S/c25-17-5-1-15(2-6-17)22-14-31-24(28-22)21-13-23(16-3-7-18(26)8-4-16)30(29-21)20-11-9-19(27)10-12-20/h1-14H
InChIKeyOYDJWNGGDHKXBR-UHFFFAOYSA-N
XLogP7.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole (CID 45277096) is 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole is Fc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)cs3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole?
The InChIKey is OYDJWNGGDHKXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2FN3S/c25-17-5-1-15(2-6-17)22-14-31-24(28-22)21-13-23(16-3-7-18(26)8-4-16)30(29-21)20-11-9-19(27)10-12-20/h1-14H.
What are the key properties of 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole has a molecular weight of 466.37 g/mol, XLogP of 7.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 45277096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).