1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine

C29H30N4O — CID 118710926

IUPAC1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(CN(C)C)c3n2C)cc1
InChIInChI=1S/C29H30N4O/c1-20-11-13-23(14-12-20)28-27(22-15-17-24(34-5)18-16-22)32(4)29-25(19-31(2)3)26(30-33(28)29)21-9-7-6-8-10-21/h6-18H,19H2,1-5H3
InChIKeyJIOWRIRQBIBTSZ-UHFFFAOYSA-N
MW450.59 g/mol
LogP6.05
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine

1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine (PubChem CID 118710926) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine
PubChem CID118710926
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC Name1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(CN(C)C)c3n2C)cc1
InChIInChI=1S/C29H30N4O/c1-20-11-13-23(14-12-20)28-27(22-15-17-24(34-5)18-16-22)32(4)29-25(19-31(2)3)26(30-33(28)29)21-9-7-6-8-10-21/h6-18H,19H2,1-5H3
InChIKeyJIOWRIRQBIBTSZ-UHFFFAOYSA-N
XLogP6.05
TPSA34.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine (CID 118710926) is 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine is COc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(CN(C)C)c3n2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine?
The InChIKey is JIOWRIRQBIBTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-20-11-13-23(14-12-20)28-27(22-15-17-24(34-5)18-16-22)32(4)29-25(19-31(2)3)26(30-33(28)29)21-9-7-6-8-10-21/h6-18H,19H2,1-5H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine?
1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine has a molecular weight of 450.59 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 118710926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).