5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole

C25H20N2 — CID 2802450

IUPAC5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole
SMILESc1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1
InChIInChI=1S/C25H20N2/c1-3-11-20(12-4-1)25-18-24(26-27(25)21-14-5-2-6-15-21)23-17-9-13-19-10-7-8-16-22(19)23/h1-17,25H,18H2
InChIKeyIROXZDVPHJHUTL-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.20
Rot. Bonds3

About 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole

5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole (PubChem CID 2802450) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole
PubChem CID2802450
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole
SMILESc1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1
InChIInChI=1S/C25H20N2/c1-3-11-20(12-4-1)25-18-24(26-27(25)21-14-5-2-6-15-21)23-17-9-13-19-10-7-8-16-22(19)23/h1-17,25H,18H2
InChIKeyIROXZDVPHJHUTL-UHFFFAOYSA-N
XLogP6.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole (CID 2802450) is 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole is c1ccc(C2CC(c3cccc4ccccc34)=NN2c2ccccc2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole?
The InChIKey is IROXZDVPHJHUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-3-11-20(12-4-1)25-18-24(26-27(25)21-14-5-2-6-15-21)23-17-9-13-19-10-7-8-16-22(19)23/h1-17,25H,18H2.
What are the key properties of 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole?
5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole has a molecular weight of 348.45 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-2,3-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2802450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).