4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole

C32H28N4 — CID 118734046

IUPAC4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccc(C)cc3)cc2C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C32H28N4/c1-23-13-17-26(18-14-23)32-29(22-35(34-32)27-19-15-24(2)16-20-27)31-21-30(25-9-5-3-6-10-25)33-36(31)28-11-7-4-8-12-28/h3-20,22,31H,21H2,1-2H3
InChIKeyQXVPSSJCULFBNO-UHFFFAOYSA-N
MW468.60 g/mol
LogP7.51
Rot. Bonds5

About 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole

4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole (PubChem CID 118734046) has the molecular formula C32H28N4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole
PubChem CID118734046
Molecular FormulaC32H28N4
Molecular Weight468.60 g/mol
Exact Mass468.23
IUPAC Name4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2nn(-c3ccc(C)cc3)cc2C2CC(c3ccccc3)=NN2c2ccccc2)cc1
InChIInChI=1S/C32H28N4/c1-23-13-17-26(18-14-23)32-29(22-35(34-32)27-19-15-24(2)16-20-27)31-21-30(25-9-5-3-6-10-25)33-36(31)28-11-7-4-8-12-28/h3-20,22,31H,21H2,1-2H3
InChIKeyQXVPSSJCULFBNO-UHFFFAOYSA-N
XLogP7.51
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole?
The IUPAC name of 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole (CID 118734046) is 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole.
What is the SMILES notation for 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole?
The canonical SMILES for 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole is Cc1ccc(-c2nn(-c3ccc(C)cc3)cc2C2CC(c3ccccc3)=NN2c2ccccc2)cc1.
What is the InChIKey of 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole?
The InChIKey is QXVPSSJCULFBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4/c1-23-13-17-26(18-14-23)32-29(22-35(34-32)27-19-15-24(2)16-20-27)31-21-30(25-9-5-3-6-10-25)33-36(31)28-11-7-4-8-12-28/h3-20,22,31H,21H2,1-2H3.
What are the key properties of 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole?
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole has a molecular weight of 468.60 g/mol, XLogP of 7.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-1,3-bis(4-methylphenyl)pyrazole is sourced from PubChem (CID 118734046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).