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

C20H14Cl2N2O — CID 141127441

IUPAC5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole
SMILESCOc1ccc2cc(-c3cc(-c4cc(Cl)ccc4Cl)[nH]n3)ccc2c1
InChIInChI=1S/C20H14Cl2N2O/c1-25-16-6-4-12-8-14(3-2-13(12)9-16)19-11-20(24-23-19)17-10-15(21)5-7-18(17)22/h2-11H,1H3,(H,23,24)
InChIKeyFARHKZVMMKIFTP-UHFFFAOYSA-N
MW369.25 g/mol
LogP6.21
Rot. Bonds3

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

5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole (PubChem CID 141127441) has the molecular formula C20H14Cl2N2O and a molecular weight of 369.25 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole
PubChem CID141127441
Molecular FormulaC20H14Cl2N2O
Molecular Weight369.25 g/mol
Exact Mass368.05
IUPAC Name5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole
SMILESCOc1ccc2cc(-c3cc(-c4cc(Cl)ccc4Cl)[nH]n3)ccc2c1
InChIInChI=1S/C20H14Cl2N2O/c1-25-16-6-4-12-8-14(3-2-13(12)9-16)19-11-20(24-23-19)17-10-15(21)5-7-18(17)22/h2-11H,1H3,(H,23,24)
InChIKeyFARHKZVMMKIFTP-UHFFFAOYSA-N
XLogP6.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole?
The IUPAC name of 5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole (CID 141127441) is 5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole is COc1ccc2cc(-c3cc(-c4cc(Cl)ccc4Cl)[nH]n3)ccc2c1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole?
The InChIKey is FARHKZVMMKIFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O/c1-25-16-6-4-12-8-14(3-2-13(12)9-16)19-11-20(24-23-19)17-10-15(21)5-7-18(17)22/h2-11H,1H3,(H,23,24).
What are the key properties of 5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole?
5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole has a molecular weight of 369.25 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-1H-pyrazole is sourced from PubChem (CID 141127441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).