3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole

C21H16Cl2N2O — CID 58186749

IUPAC3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole
SMILESCOc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C)ccc2c1
InChIInChI=1S/C21H16Cl2N2O/c1-25-21(12-20(24-25)16-8-17(22)11-18(23)9-16)15-4-3-14-10-19(26-2)6-5-13(14)7-15/h3-12H,1-2H3
InChIKeyCFZLAPLBPHSRMK-UHFFFAOYSA-N
MW383.28 g/mol
LogP6.22
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole

3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole (PubChem CID 58186749) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole
PubChem CID58186749
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole
SMILESCOc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C)ccc2c1
InChIInChI=1S/C21H16Cl2N2O/c1-25-21(12-20(24-25)16-8-17(22)11-18(23)9-16)15-4-3-14-10-19(26-2)6-5-13(14)7-15/h3-12H,1-2H3
InChIKeyCFZLAPLBPHSRMK-UHFFFAOYSA-N
XLogP6.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole (CID 58186749) is 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole is COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C)ccc2c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole?
The InChIKey is CFZLAPLBPHSRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c1-25-21(12-20(24-25)16-8-17(22)11-18(23)9-16)15-4-3-14-10-19(26-2)6-5-13(14)7-15/h3-12H,1-2H3.
What are the key properties of 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole?
3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole has a molecular weight of 383.28 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole is sourced from PubChem (CID 58186749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).