2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole

C26H23N3O — CID 118710917

IUPAC2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3cccc(C)c3)n3nc(-c4ccccc4)cc3n2C)cc1
InChIInChI=1S/C26H23N3O/c1-18-8-7-11-21(16-18)26-25(20-12-14-22(30-3)15-13-20)28(2)24-17-23(27-29(24)26)19-9-5-4-6-10-19/h4-17H,1-3H3
InChIKeyPSQXKCQHFKQWQP-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.99
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole

2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole (PubChem CID 118710917) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole
PubChem CID118710917
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3cccc(C)c3)n3nc(-c4ccccc4)cc3n2C)cc1
InChIInChI=1S/C26H23N3O/c1-18-8-7-11-21(16-18)26-25(20-12-14-22(30-3)15-13-20)28(2)24-17-23(27-29(24)26)19-9-5-4-6-10-19/h4-17H,1-3H3
InChIKeyPSQXKCQHFKQWQP-UHFFFAOYSA-N
XLogP5.99
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole (CID 118710917) is 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3cccc(C)c3)n3nc(-c4ccccc4)cc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole?
The InChIKey is PSQXKCQHFKQWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-18-8-7-11-21(16-18)26-25(20-12-14-22(30-3)15-13-20)28(2)24-17-23(27-29(24)26)19-9-5-4-6-10-19/h4-17H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole?
2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole has a molecular weight of 393.49 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-3-(3-methylphenyl)-6-phenylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).