4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole

C18H18N2O — CID 146150677

IUPAC4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole
SMILESCOc1ccc(-c2cnn(-c3ccccc3C)c2)c(C)c1
InChIInChI=1S/C18H18N2O/c1-13-6-4-5-7-18(13)20-12-15(11-19-20)17-9-8-16(21-3)10-14(17)2/h4-12H,1-3H3
InChIKeyJMWGHRXCUSGWIF-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.16
Rot. Bonds3

About 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole

4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole (PubChem CID 146150677) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole
PubChem CID146150677
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole
SMILESCOc1ccc(-c2cnn(-c3ccccc3C)c2)c(C)c1
InChIInChI=1S/C18H18N2O/c1-13-6-4-5-7-18(13)20-12-15(11-19-20)17-9-8-16(21-3)10-14(17)2/h4-12H,1-3H3
InChIKeyJMWGHRXCUSGWIF-UHFFFAOYSA-N
XLogP4.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole (CID 146150677) is 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole is COc1ccc(-c2cnn(-c3ccccc3C)c2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole?
The InChIKey is JMWGHRXCUSGWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-6-4-5-7-18(13)20-12-15(11-19-20)17-9-8-16(21-3)10-14(17)2/h4-12H,1-3H3.
What are the key properties of 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole?
4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole has a molecular weight of 278.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)-1-(2-methylphenyl)pyrazole is sourced from PubChem (CID 146150677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).