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

C24H16FN3S — CID 71732866

IUPAC2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H16FN3S/c25-19-13-11-18(12-14-19)23-21(15-28(27-23)20-9-5-2-6-10-20)24-26-22(16-29-24)17-7-3-1-4-8-17/h1-16H
InChIKeyHIPXGUAWRPOHDR-UHFFFAOYSA-N
MW397.48 g/mol
LogP6.47
Rot. Bonds4

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

2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole (PubChem CID 71732866) has the molecular formula C24H16FN3S and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole
PubChem CID71732866
Molecular FormulaC24H16FN3S
Molecular Weight397.48 g/mol
Exact Mass397.10
IUPAC Name2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole
SMILESFc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C24H16FN3S/c25-19-13-11-18(12-14-19)23-21(15-28(27-23)20-9-5-2-6-10-20)24-26-22(16-29-24)17-7-3-1-4-8-17/h1-16H
InChIKeyHIPXGUAWRPOHDR-UHFFFAOYSA-N
XLogP6.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole (CID 71732866) is 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole is Fc1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole?
The InChIKey is HIPXGUAWRPOHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3S/c25-19-13-11-18(12-14-19)23-21(15-28(27-23)20-9-5-2-6-10-20)24-26-22(16-29-24)17-7-3-1-4-8-17/h1-16H.
What are the key properties of 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole?
2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole has a molecular weight of 397.48 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 71732866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).