2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol

C21H16Cl2N2O — CID 127050124

IUPAC2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccccc1C1CC(c2ccc(Cl)c(Cl)c2)=NN1c1ccccc1
InChIInChI=1S/C21H16Cl2N2O/c22-17-11-10-14(12-18(17)23)19-13-20(16-8-4-5-9-21(16)26)25(24-19)15-6-2-1-3-7-15/h1-12,20,26H,13H2
InChIKeyLAAYUWGAPUNSAY-UHFFFAOYSA-N
MW383.28 g/mol
LogP6.05
Rot. Bonds3

About 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol

2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 127050124) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
PubChem CID127050124
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccccc1C1CC(c2ccc(Cl)c(Cl)c2)=NN1c1ccccc1
InChIInChI=1S/C21H16Cl2N2O/c22-17-11-10-14(12-18(17)23)19-13-20(16-8-4-5-9-21(16)26)25(24-19)15-6-2-1-3-7-15/h1-12,20,26H,13H2
InChIKeyLAAYUWGAPUNSAY-UHFFFAOYSA-N
XLogP6.05
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-Chlorophenyl)-5-(2-hydroxyphenyl)-4-methyl-3,4-dihydropyrazol-3-yl]-2-fluorophenol
CID 136931818
2-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 248317
4-[3-(3-Chlorophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 145981790
4-[2,3-Bis(3-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 145988891
4-[2-(3-Chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 145989758
4-[2,3-Bis(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]benzene-1,2-diol
CID 145991650
4-[2-(4-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 15096511
4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 118095304
4-[5-(4-Aminophenyl)-2-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 118095367
2-[2-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 136931811
4-[2-(3-Chlorophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-3-yl]-2,6-difluorophenol
CID 136931815
4-[2-(3-Chlorophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-3-yl]-2-fluorophenol
CID 136931816

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol (CID 127050124) is 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol is Oc1ccccc1C1CC(c2ccc(Cl)c(Cl)c2)=NN1c1ccccc1.
What is the InChIKey of 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is LAAYUWGAPUNSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c22-17-11-10-14(12-18(17)23)19-13-20(16-8-4-5-9-21(16)26)25(24-19)15-6-2-1-3-7-15/h1-12,20,26H,13H2.
What are the key properties of 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol?
2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 383.28 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dichlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 127050124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).