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

C26H23N3O2 — CID 118710916

IUPAC2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)n3nc(-c4ccccc4)cc3n2C)cc1
InChIInChI=1S/C26H23N3O2/c1-28-24-17-23(18-7-5-4-6-8-18)27-29(24)26(20-11-15-22(31-3)16-12-20)25(28)19-9-13-21(30-2)14-10-19/h4-17H,1-3H3
InChIKeyOXCCFLVXWFVSBL-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.69
Rot. Bonds5

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

2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole (PubChem CID 118710916) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole
PubChem CID118710916
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)n3nc(-c4ccccc4)cc3n2C)cc1
InChIInChI=1S/C26H23N3O2/c1-28-24-17-23(18-7-5-4-6-8-18)27-29(24)26(20-11-15-22(31-3)16-12-20)25(28)19-9-13-21(30-2)14-10-19/h4-17H,1-3H3
InChIKeyOXCCFLVXWFVSBL-UHFFFAOYSA-N
XLogP5.69
TPSA40.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 71608846
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710918
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
2-(3-methoxyphenyl)-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271458
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-[[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 6487768
3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
CID 10959140
2-methoxy-6-phenylnaphthalene
CID 11253308
5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271228
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole?
The IUPAC name of 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole (CID 118710916) is 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccc(OC)cc3)n3nc(-c4ccccc4)cc3n2C)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole?
The InChIKey is OXCCFLVXWFVSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-28-24-17-23(18-7-5-4-6-8-18)27-29(24)26(20-11-15-22(31-3)16-12-20)25(28)19-9-13-21(30-2)14-10-19/h4-17H,1-3H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole?
2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole has a molecular weight of 409.49 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).