3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole

C26H22N2 — CID 2755330

IUPAC3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1
InChIInChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)26-18-25(27-28(26)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3
InChIKeyWFBOMZWUZOIPFV-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.50
Rot. Bonds3

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

3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole (PubChem CID 2755330) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
PubChem CID2755330
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1
InChIInChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)26-18-25(27-28(26)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3
InChIKeyWFBOMZWUZOIPFV-UHFFFAOYSA-N
XLogP6.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole (CID 2755330) is 3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole is Cc1ccc(C2CC(c3ccc4ccccc4c3)=NN2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole?
The InChIKey is WFBOMZWUZOIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)26-18-25(27-28(26)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole?
3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole has a molecular weight of 362.48 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2755330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).