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

C26H22N2 — CID 14246200

IUPAC5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)C(c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3
InChIKeyMDZUGYWTXFSAGX-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.50
Rot. Bonds3

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

5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole (PubChem CID 14246200) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
PubChem CID14246200
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC Name5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccccc3)C(c3ccc4ccccc4c3)C2)cc1
InChIInChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)24-9-3-2-4-10-24)23-16-15-20-7-5-6-8-22(20)17-23/h2-17,26H,18H2,1H3
InChIKeyMDZUGYWTXFSAGX-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 5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole (CID 14246200) is 5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole is Cc1ccc(C2=NN(c3ccccc3)C(c3ccc4ccccc4c3)C2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole?
The InChIKey is MDZUGYWTXFSAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-19-11-13-21(14-12-19)25-18-26(28(27-25)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 5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole?
5-(4-methylphenyl)-3-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 5-(4-methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 14246200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).