2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol

C24H18FN3OS — CID 155515645

IUPAC2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccccc1C1CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H18FN3OS/c25-18-12-10-17(11-13-18)20-14-22(19-8-4-5-9-23(19)29)28(27-20)24-26-21(15-30-24)16-6-2-1-3-7-16/h1-13,15,22,29H,14H2
InChIKeySJCGGSAGSQKPHC-UHFFFAOYSA-N
MW415.49 g/mol
LogP6.01
Rot. Bonds4

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

2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 155515645) has the molecular formula C24H18FN3OS and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
PubChem CID155515645
Molecular FormulaC24H18FN3OS
Molecular Weight415.49 g/mol
Exact Mass415.12
IUPAC Name2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccccc1C1CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C24H18FN3OS/c25-18-12-10-17(11-13-18)20-14-22(19-8-4-5-9-23(19)29)28(27-20)24-26-21(15-30-24)16-6-2-1-3-7-16/h1-13,15,22,29H,14H2
InChIKeySJCGGSAGSQKPHC-UHFFFAOYSA-N
XLogP6.01
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 46936083
2-Fluoro-6-(2-morpholinothiazol-4-yl)phenol
CID 118310053
OC1=CC(F)=CC=C1C1=Csc(N2ccocc2)=N1
CID 118310059
4-[2-[[4-Amino-6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 168293204
4-[5-(3,4-Dimethylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
CID 46936028
2-[2-[4-(3-Bromophenyl)-1,3-thiazol-2-yl]-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 155563852
2-[5-(2-Methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole
CID 156784870
2-[5-(4-Methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151149
2-[3-(4-Fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151163
2-[3,5-Bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
CID 45151203
4-[5-(4-Methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol
CID 56682199
4-[3-Phenyl-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-3,4-dihydropyrazol-5-yl]phenol
CID 136961371

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol (CID 155515645) is 2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol is Oc1ccccc1C1CC(c2ccc(F)cc2)=NN1c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is SJCGGSAGSQKPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3OS/c25-18-12-10-17(11-13-18)20-14-22(19-8-4-5-9-23(19)29)28(27-20)24-26-21(15-30-24)16-6-2-1-3-7-16/h1-13,15,22,29H,14H2.
What are the key properties of 2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol?
2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 415.49 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 155515645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).