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

C30H22ClFN4 — CID 71600463

IUPAC3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
SMILESFc1ccc(C2=NN(c3ccccc3)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C30H22ClFN4/c31-23-15-11-22(12-16-23)30-27(20-35(34-30)25-7-3-1-4-8-25)29-19-28(21-13-17-24(32)18-14-21)33-36(29)26-9-5-2-6-10-26/h1-18,20,29H,19H2
InChIKeyXQLMOBXGQBGUDL-UHFFFAOYSA-N
MW492.99 g/mol
LogP7.69
Rot. Bonds5

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

3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole (PubChem CID 71600463) has the molecular formula C30H22ClFN4 and a molecular weight of 492.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
PubChem CID71600463
Molecular FormulaC30H22ClFN4
Molecular Weight492.99 g/mol
Exact Mass492.15
IUPAC Name3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
SMILESFc1ccc(C2=NN(c3ccccc3)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C30H22ClFN4/c31-23-15-11-22(12-16-23)30-27(20-35(34-30)25-7-3-1-4-8-25)29-19-28(21-13-17-24(32)18-14-21)33-36(29)26-9-5-2-6-10-26/h1-18,20,29H,19H2
InChIKeyXQLMOBXGQBGUDL-UHFFFAOYSA-N
XLogP7.69
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.99
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole?
The IUPAC name of 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole (CID 71600463) is 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole is Fc1ccc(C2=NN(c3ccccc3)C(c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole?
The InChIKey is XQLMOBXGQBGUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClFN4/c31-23-15-11-22(12-16-23)30-27(20-35(34-30)25-7-3-1-4-8-25)29-19-28(21-13-17-24(32)18-14-21)33-36(29)26-9-5-2-6-10-26/h1-18,20,29H,19H2.
What are the key properties of 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole?
3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole has a molecular weight of 492.99 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[5-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole is sourced from PubChem (CID 71600463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).