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

C21H17ClN2O — CID 15096511

IUPAC4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN2O/c22-17-8-10-18(11-9-17)24-21(16-6-12-19(25)13-7-16)14-20(23-24)15-4-2-1-3-5-15/h1-13,21,25H,14H2
InChIKeyQEDDROWYBFKZSH-UHFFFAOYSA-N
MW348.83 g/mol
LogP5.40
Rot. Bonds3

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

4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 15096511) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
PubChem CID15096511
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H17ClN2O/c22-17-8-10-18(11-9-17)24-21(16-6-12-19(25)13-7-16)14-20(23-24)15-4-2-1-3-5-15/h1-13,21,25H,14H2
InChIKeyQEDDROWYBFKZSH-UHFFFAOYSA-N
XLogP5.40
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.83
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 135505744
2-[5-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4419144
4-[2-(4-Chlorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]phenol
CID 118095336
4-[5-Tert-butyl-2-(3,4-difluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 118710712
5-[5-Tert-butyl-2-(3-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-fluorophenol
CID 118710723
4-[2-(3-Chlorophenyl)-3-(3-fluoro-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]benzene-1,3-diol
CID 136931814
4-[2-(3-Chlorophenyl)-5-(2-hydroxyphenyl)-4-methyl-3,4-dihydropyrazol-3-yl]-2-fluorophenol
CID 136931818
4-[2-(4-Chlorophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-3-yl]benzene-1,2-diol
CID 136931819
2-[5-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 3716559
2-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 248317
4-[5-Tert-butyl-2-(3-chloro-4-fluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 118710711
4-[5-Tert-butyl-2-(2,3,4-trifluorophenyl)-3,4-dihydropyrazol-3-yl]phenol
CID 118710713

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol (CID 15096511) is 4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol is Oc1ccc(C2CC(c3ccccc3)=NN2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is QEDDROWYBFKZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-17-8-10-18(11-9-17)24-21(16-6-12-19(25)13-7-16)14-20(23-24)15-4-2-1-3-5-15/h1-13,21,25H,14H2.
What are the key properties of 4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol?
4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 348.83 g/mol, XLogP of 5.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 15096511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).