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

C21H18N2O2 — CID 166624752

IUPAC4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccc(C2=NN(c3ccccc3)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C21H18N2O2/c24-18-10-6-15(7-11-18)20-14-21(16-8-12-19(25)13-9-16)23(22-20)17-4-2-1-3-5-17/h1-13,21,24-25H,14H2
InChIKeyTXSSPGAMPAMWEG-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.45
Rot. Bonds3

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

4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 166624752) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
PubChem CID166624752
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
SMILESOc1ccc(C2=NN(c3ccccc3)C(c3ccc(O)cc3)C2)cc1
InChIInChI=1S/C21H18N2O2/c24-18-10-6-15(7-11-18)20-14-21(16-8-12-19(25)13-9-16)23(22-20)17-4-2-1-3-5-17/h1-13,21,24-25H,14H2
InChIKeyTXSSPGAMPAMWEG-UHFFFAOYSA-N
XLogP4.45
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
(3R)-5-(4-bromophenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7277369
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46914885
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
CID 50886955
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
(3R)-5-(4-bromophenyl)-2-phenyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole
CID 7290397
[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 7065243
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol (CID 166624752) is 4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol is Oc1ccc(C2=NN(c3ccccc3)C(c3ccc(O)cc3)C2)cc1.
What is the InChIKey of 4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is TXSSPGAMPAMWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-18-10-6-15(7-11-18)20-14-21(16-8-12-19(25)13-9-16)23(22-20)17-4-2-1-3-5-17/h1-13,21,24-25H,14H2.
What are the key properties of 4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol?
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 330.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 166624752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).