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

C24H15ClFN3S — CID 71732865

IUPAC4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C24H15ClFN3S/c25-18-10-6-16(7-11-18)22-15-30-24(27-22)21-14-29(20-4-2-1-3-5-20)28-23(21)17-8-12-19(26)13-9-17/h1-15H
InChIKeyAZVXAKFWKHRFOJ-UHFFFAOYSA-N
MW431.92 g/mol
LogP7.12
Rot. Bonds4

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

4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole (PubChem CID 71732865) has the molecular formula C24H15ClFN3S and a molecular weight of 431.92 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole
PubChem CID71732865
Molecular FormulaC24H15ClFN3S
Molecular Weight431.92 g/mol
Exact Mass431.07
IUPAC Name4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C24H15ClFN3S/c25-18-10-6-16(7-11-18)22-15-30-24(27-22)21-14-29(20-4-2-1-3-5-20)28-23(21)17-8-12-19(26)13-9-17/h1-15H
InChIKeyAZVXAKFWKHRFOJ-UHFFFAOYSA-N
XLogP7.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 57.12
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-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole (CID 71732865) is 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole is Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole?
The InChIKey is AZVXAKFWKHRFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClFN3S/c25-18-10-6-16(7-11-18)22-15-30-24(27-22)21-14-29(20-4-2-1-3-5-20)28-23(21)17-8-12-19(26)13-9-17/h1-15H.
What are the key properties of 4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole?
4-(4-chlorophenyl)-2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole has a molecular weight of 431.92 g/mol, XLogP of 7.12, 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-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 71732865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).