2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole

C23H19N3OS — CID 102313333

IUPAC2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccsc3)n3nc(-c4ccccc4)cc3n2C)cc1
InChIInChI=1S/C23H19N3OS/c1-25-21-14-20(16-6-4-3-5-7-16)24-26(21)23(18-12-13-28-15-18)22(25)17-8-10-19(27-2)11-9-17/h3-15H,1-2H3
InChIKeyALPDHPPJAFUJLD-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.74
Rot. Bonds4

About 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole

2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole (PubChem CID 102313333) has the molecular formula C23H19N3OS and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole
PubChem CID102313333
Molecular FormulaC23H19N3OS
Molecular Weight385.49 g/mol
Exact Mass385.12
IUPAC Name2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccsc3)n3nc(-c4ccccc4)cc3n2C)cc1
InChIInChI=1S/C23H19N3OS/c1-25-21-14-20(16-6-4-3-5-7-16)24-26(21)23(18-12-13-28-15-18)22(25)17-8-10-19(27-2)11-9-17/h3-15H,1-2H3
InChIKeyALPDHPPJAFUJLD-UHFFFAOYSA-N
XLogP5.74
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole (CID 102313333) is 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccsc3)n3nc(-c4ccccc4)cc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole?
The InChIKey is ALPDHPPJAFUJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3OS/c1-25-21-14-20(16-6-4-3-5-7-16)24-26(21)23(18-12-13-28-15-18)22(25)17-8-10-19(27-2)11-9-17/h3-15H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole?
2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole has a molecular weight of 385.49 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-thiophen-3-ylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 102313333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).