3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

C23H22N2O — CID 3714148

IUPAC3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2ccc(C)cc2)=NN1c1ccccc1
InChIInChI=1S/C23H22N2O/c1-17-12-14-18(15-13-17)21-16-22(20-10-6-7-11-23(20)26-2)25(24-21)19-8-4-3-5-9-19/h3-15,22H,16H2,1-2H3
InChIKeyDYCZGCRAPWSIPJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.36
Rot. Bonds4

About 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole

3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 3714148) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID3714148
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2ccc(C)cc2)=NN1c1ccccc1
InChIInChI=1S/C23H22N2O/c1-17-12-14-18(15-13-17)21-16-22(20-10-6-7-11-23(20)26-2)25(24-21)19-8-4-3-5-9-19/h3-15,22H,16H2,1-2H3
InChIKeyDYCZGCRAPWSIPJ-UHFFFAOYSA-N
XLogP5.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7411218
(3R)-3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 703901
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
5-(4-bromophenyl)-3-(2-chloro-3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 10600488
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazole
CID 41038498
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
5-benzo[e][1]benzofuran-2-yl-3-(2-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 102303760
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 3714148) is 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccccc1C1CC(c2ccc(C)cc2)=NN1c1ccccc1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is DYCZGCRAPWSIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-17-12-14-18(15-13-17)21-16-22(20-10-6-7-11-23(20)26-2)25(24-21)19-8-4-3-5-9-19/h3-15,22H,16H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 342.44 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 3714148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).