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

C25H19ClFN3S — CID 2849708

IUPAC2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H19ClFN3S/c1-16-2-4-17(5-3-16)22-14-24(19-6-10-20(26)11-7-19)30(29-22)25-28-23(15-31-25)18-8-12-21(27)13-9-18/h2-13,15,24H,14H2,1H3
InChIKeyKRLXZDPDHYZJAH-UHFFFAOYSA-N
MW447.97 g/mol
LogP7.27
Rot. Bonds4

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

2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 2849708) has the molecular formula C25H19ClFN3S and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID2849708
Molecular FormulaC25H19ClFN3S
Molecular Weight447.97 g/mol
Exact Mass447.10
IUPAC Name2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1ccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)C(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C25H19ClFN3S/c1-16-2-4-17(5-3-16)22-14-24(19-6-10-20(26)11-7-19)30(29-22)25-28-23(15-31-25)18-8-12-21(27)13-9-18/h2-13,15,24H,14H2,1H3
InChIKeyKRLXZDPDHYZJAH-UHFFFAOYSA-N
XLogP7.27
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole (CID 2849708) is 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole is Cc1ccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)C(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is KRLXZDPDHYZJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3S/c1-16-2-4-17(5-3-16)22-14-24(19-6-10-20(26)11-7-19)30(29-22)25-28-23(15-31-25)18-8-12-21(27)13-9-18/h2-13,15,24H,14H2,1H3.
What are the key properties of 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 447.97 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 2849708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).