3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole

C22H20N2O — CID 2729172

IUPAC3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyPUYJFJIIBMNMGD-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.05
Rot. Bonds4

About 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole

3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 2729172) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID2729172
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1C1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3
InChIKeyPUYJFJIIBMNMGD-UHFFFAOYSA-N
XLogP5.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole (CID 2729172) is 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole is COc1ccccc1C1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is PUYJFJIIBMNMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-19(22)21-16-20(17-10-4-2-5-11-17)23-24(21)18-12-6-3-7-13-18/h2-15,21H,16H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 328.42 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2729172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).