2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C23H15F4N3S2 — CID 118720873

IUPAC2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFc1ccc(C2=NN(c3nc(-c4ccc(C(F)(F)F)cc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C23H15F4N3S2/c24-17-9-5-14(6-10-17)18-12-20(21-2-1-11-31-21)30(29-18)22-28-19(13-32-22)15-3-7-16(8-4-15)23(25,26)27/h1-11,13,20H,12H2
InChIKeyGCDDQJACDRSVCU-UHFFFAOYSA-N
MW473.52 g/mol
LogP7.39
Rot. Bonds4

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

2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 118720873) has the molecular formula C23H15F4N3S2 and a molecular weight of 473.52 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID118720873
Molecular FormulaC23H15F4N3S2
Molecular Weight473.52 g/mol
Exact Mass473.06
IUPAC Name2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFc1ccc(C2=NN(c3nc(-c4ccc(C(F)(F)F)cc4)cs3)C(c3cccs3)C2)cc1
InChIInChI=1S/C23H15F4N3S2/c24-17-9-5-14(6-10-17)18-12-20(21-2-1-11-31-21)30(29-18)22-28-19(13-32-22)15-3-7-16(8-4-15)23(25,26)27/h1-11,13,20H,12H2
InChIKeyGCDDQJACDRSVCU-UHFFFAOYSA-N
XLogP7.39
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.52
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9803095
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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 118720873) is 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Fc1ccc(C2=NN(c3nc(-c4ccc(C(F)(F)F)cc4)cs3)C(c3cccs3)C2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is GCDDQJACDRSVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N3S2/c24-17-9-5-14(6-10-17)18-12-20(21-2-1-11-31-21)30(29-18)22-28-19(13-32-22)15-3-7-16(8-4-15)23(25,26)27/h1-11,13,20H,12H2.
What are the key properties of 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 473.52 g/mol, XLogP of 7.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 118720873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).