2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole

C24H26ClN5 — CID 118710907

IUPAC2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
SMILESCN1CCN(Cc2c(-c3ccccc3)nn3cc(-c4ccc(Cl)cc4)n(C)c23)CC1
InChIInChI=1S/C24H26ClN5/c1-27-12-14-29(15-13-27)16-21-23(19-6-4-3-5-7-19)26-30-17-22(28(2)24(21)30)18-8-10-20(25)11-9-18/h3-11,17H,12-16H2,1-2H3
InChIKeyKPTZUZVDMMIXSA-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.41
Rot. Bonds4

About 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole

2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole (PubChem CID 118710907) has the molecular formula C24H26ClN5 and a molecular weight of 419.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
PubChem CID118710907
Molecular FormulaC24H26ClN5
Molecular Weight419.96 g/mol
Exact Mass419.19
IUPAC Name2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
SMILESCN1CCN(Cc2c(-c3ccccc3)nn3cc(-c4ccc(Cl)cc4)n(C)c23)CC1
InChIInChI=1S/C24H26ClN5/c1-27-12-14-29(15-13-27)16-21-23(19-6-4-3-5-7-19)26-30-17-22(28(2)24(21)30)18-8-10-20(25)11-9-18/h3-11,17H,12-16H2,1-2H3
InChIKeyKPTZUZVDMMIXSA-UHFFFAOYSA-N
XLogP4.41
TPSA28.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole?
The IUPAC name of 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole (CID 118710907) is 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole is CN1CCN(Cc2c(-c3ccccc3)nn3cc(-c4ccc(Cl)cc4)n(C)c23)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole?
The InChIKey is KPTZUZVDMMIXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5/c1-27-12-14-29(15-13-27)16-21-23(19-6-4-3-5-7-19)26-30-17-22(28(2)24(21)30)18-8-10-20(25)11-9-18/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole?
2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole has a molecular weight of 419.96 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).