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]-3,5-dimethylphenol

C25H23ClFN5OS — CID 155538159

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]-3,5-dimethylphenol

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]-3,5-dimethylphenol (PubChem CID 155538159) has the molecular formula C25H23ClFN5OS and a molecular weight of 496.01 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]-3,5-dimethylphenol.

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]-3,5-dimethylphenol
• PubChem CID: 155538159
• Molecular Formula: C25H23ClFN5OS
• Molecular Weight: 496.01 g/mol
• Exact Mass: 495.13
• 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]-3,5-dimethylphenol
• SMILES: Cc1nc(C)c(-c2nn(-c3ccc(F)cc3)cc2C2CC(c3c(O)cc(C)c(Cl)c3C)=NN2)s1
• InChI: InChI=1S/C25H23ClFN5OS/c1-12-9-21(33)22(13(2)23(12)26)20-10-19(29-30-20)18-11-32(17-7-5-16(27)6-8-17)31-24(18)25-14(3)28-15(4)34-25/h5-9,11,19,29,33H,10H2,1-4H3
• InChIKey: WGDAYOAGFGRSKT-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 75.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.01
LogP ≤ 5	6.17
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]-3,5-dimethylphenol?

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]-3,5-dimethylphenol (CID 155538159) 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]-3,5-dimethylphenol.

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]-3,5-dimethylphenol?

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]-3,5-dimethylphenol is Cc1nc(C)c(-c2nn(-c3ccc(F)cc3)cc2C2CC(c3c(O)cc(C)c(Cl)c3C)=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]-3,5-dimethylphenol?

The InChIKey is WGDAYOAGFGRSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5OS/c1-12-9-21(33)22(13(2)23(12)26)20-10-19(29-30-20)18-11-32(17-7-5-16(27)6-8-17)31-24(18)25-14(3)28-15(4)34-25/h5-9,11,19,29,33H,10H2,1-4H3.

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]-3,5-dimethylphenol?

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]-3,5-dimethylphenol has a molecular weight of 496.01 g/mol, XLogP of 6.17, 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]-3,5-dimethylphenol is sourced from PubChem (CID 155538159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).