5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole

C25H18Cl2N2 — CID 71524960

IUPAC5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccccc3)C(c3cccc4ccccc34)C2)cc1Cl
InChIInChI=1S/C25H18Cl2N2/c26-22-14-13-18(15-23(22)27)24-16-25(29(28-24)19-9-2-1-3-10-19)21-12-6-8-17-7-4-5-11-20(17)21/h1-15,25H,16H2
InChIKeyLGGXKYNJQDCCPN-UHFFFAOYSA-N
MW417.34 g/mol
LogP7.50
Rot. Bonds3

About 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole

5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole (PubChem CID 71524960) has the molecular formula C25H18Cl2N2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
PubChem CID71524960
Molecular FormulaC25H18Cl2N2
Molecular Weight417.34 g/mol
Exact Mass416.08
IUPAC Name5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccccc3)C(c3cccc4ccccc34)C2)cc1Cl
InChIInChI=1S/C25H18Cl2N2/c26-22-14-13-18(15-23(22)27)24-16-25(29(28-24)19-9-2-1-3-10-19)21-12-6-8-17-7-4-5-11-20(17)21/h1-15,25H,16H2
InChIKeyLGGXKYNJQDCCPN-UHFFFAOYSA-N
XLogP7.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.34
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole (CID 71524960) is 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole is Clc1ccc(C2=NN(c3ccccc3)C(c3cccc4ccccc34)C2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole?
The InChIKey is LGGXKYNJQDCCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2/c26-22-14-13-18(15-23(22)27)24-16-25(29(28-24)19-9-2-1-3-10-19)21-12-6-8-17-7-4-5-11-20(17)21/h1-15,25H,16H2.
What are the key properties of 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole?
5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole has a molecular weight of 417.34 g/mol, XLogP of 7.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 71524960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).