4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole

C24H18ClN3S — CID 2824853

IUPAC4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESClc1ccc(C2=NN(c3ccccc3)C(c3csc(-c4ccccc4)n3)C2)cc1
InChIInChI=1S/C24H18ClN3S/c25-19-13-11-17(12-14-19)21-15-23(28(27-21)20-9-5-2-6-10-20)22-16-29-24(26-22)18-7-3-1-4-8-18/h1-14,16,23H,15H2
InChIKeyCWPPAQYJFVVTDX-UHFFFAOYSA-N
MW415.95 g/mol
LogP6.82
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole

4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole (PubChem CID 2824853) has the molecular formula C24H18ClN3S and a molecular weight of 415.95 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole
PubChem CID2824853
Molecular FormulaC24H18ClN3S
Molecular Weight415.95 g/mol
Exact Mass415.09
IUPAC Name4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole
SMILESClc1ccc(C2=NN(c3ccccc3)C(c3csc(-c4ccccc4)n3)C2)cc1
InChIInChI=1S/C24H18ClN3S/c25-19-13-11-17(12-14-19)21-15-23(28(27-21)20-9-5-2-6-10-20)22-16-29-24(26-22)18-7-3-1-4-8-18/h1-14,16,23H,15H2
InChIKeyCWPPAQYJFVVTDX-UHFFFAOYSA-N
XLogP6.82
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.95
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole (CID 2824853) is 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole is Clc1ccc(C2=NN(c3ccccc3)C(c3csc(-c4ccccc4)n3)C2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole?
The InChIKey is CWPPAQYJFVVTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3S/c25-19-13-11-17(12-14-19)21-15-23(28(27-21)20-9-5-2-6-10-20)22-16-29-24(26-22)18-7-3-1-4-8-18/h1-14,16,23H,15H2.
What are the key properties of 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole?
4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole has a molecular weight of 415.95 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2824853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).