4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol

C24H21ClFN5OS — CID 155567967

About 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol

4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol (PubChem CID 155567967) has the molecular formula C24H21ClFN5OS and a molecular weight of 481.98 g/mol. Its IUPAC name is 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol.

Molecular Properties

• Compound Name: 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol
• PubChem CID: 155567967
• Molecular Formula: C24H21ClFN5OS
• Molecular Weight: 481.98 g/mol
• Exact Mass: 481.11
• IUPAC Name: 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol
• SMILES: Cc1nc(C)c(-c2nn(-c3ccc(F)cc3)cc2C2CC(c3cc(Cl)c(C)cc3O)=NN2)s1
• InChI: InChI=1S/C24H21ClFN5OS/c1-12-8-22(32)17(9-19(12)25)20-10-21(29-28-20)18-11-31(16-6-4-15(26)5-7-16)30-23(18)24-13(2)27-14(3)33-24/h4-9,11,21,29,32H,10H2,1-3H3
• InChIKey: CXKACSAQLJEJAG-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 75.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.98
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol?

The IUPAC name of 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol (CID 155567967) is 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol.

What is the SMILES notation for 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol?

The canonical SMILES for 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol is Cc1nc(C)c(-c2nn(-c3ccc(F)cc3)cc2C2CC(c3cc(Cl)c(C)cc3O)=NN2)s1.

What is the InChIKey of 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol?

The InChIKey is CXKACSAQLJEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5OS/c1-12-8-22(32)17(9-19(12)25)20-10-21(29-28-20)18-11-31(16-6-4-15(26)5-7-16)30-23(18)24-13(2)27-14(3)33-24/h4-9,11,21,29,32H,10H2,1-3H3.

What are the key properties of 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol?

4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol has a molecular weight of 481.98 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-[5-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-fluorophenyl)pyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]-5-methylphenol is sourced from PubChem (CID 155567967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).