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

C21H17ClN2O — CID 118095304

IUPAC4-[2-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
SMILESC1C(N(N=C1C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)O
InChIInChI=1S/C21H17ClN2O/c22-17-7-4-8-18(13-17)24-21(16-9-11-19(25)12-10-16)14-20(23-24)15-5-2-1-3-6-15/h1-13,21,25H,14H2
InChIKeyWRZDYJDTSNUFDR-UHFFFAOYSA-N
MW348.80 g/mol
LogP5.30
Rot. Bonds3

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

4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol (PubChem CID 118095304) has the molecular formula C21H17ClN2O and a molecular weight of 348.80 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
PubChem CID118095304
Molecular FormulaC21H17ClN2O
Molecular Weight348.80 g/mol
Exact Mass348.10
IUPAC Name4-[2-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol
SMILESC1C(N(N=C1C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)O
InChIInChI=1S/C21H17ClN2O/c22-17-7-4-8-18(13-17)24-21(16-9-11-19(25)12-10-16)14-20(23-24)15-5-2-1-3-6-15/h1-13,21,25H,14H2
InChIKeyWRZDYJDTSNUFDR-UHFFFAOYSA-N
XLogP5.30
TPSA35.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity469

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.80
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The IUPAC name of 4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol (CID 118095304) is 4-[2-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol.
What is the SMILES notation for 4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The canonical SMILES for 4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol is C1C(N(N=C1C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)O.
What is the InChIKey of 4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol?
The InChIKey is WRZDYJDTSNUFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-17-7-4-8-18(13-17)24-21(16-9-11-19(25)12-10-16)14-20(23-24)15-5-2-1-3-6-15/h1-13,21,25H,14H2.
What are the key properties of 4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol?
4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol has a molecular weight of 348.80 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-Chlorophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]phenol is sourced from PubChem (CID 118095304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).