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

C22H20N2 — CID 2729183

IUPAC3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKeyZDTNKHNZNGPMJY-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.35
Rot. Bonds3

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

3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 2729183) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID2729183
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3
InChIKeyZDTNKHNZNGPMJY-UHFFFAOYSA-N
XLogP5.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole (CID 2729183) is 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole is Cc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is ZDTNKHNZNGPMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-17-12-14-19(15-13-17)22-16-21(18-8-4-2-5-9-18)23-24(22)20-10-6-3-7-11-20/h2-15,22H,16H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole?
3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 312.42 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2729183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).