1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole

C25H26F3N5 — CID 118710906

IUPAC1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCN1CCN(Cc2c(-c3ccccc3)nn3cc(-c4ccc(C(F)(F)F)cc4)n(C)c23)CC1
InChIInChI=1S/C25H26F3N5/c1-30-12-14-32(15-13-30)16-21-23(19-6-4-3-5-7-19)29-33-17-22(31(2)24(21)33)18-8-10-20(11-9-18)25(26,27)28/h3-11,17H,12-16H2,1-2H3
InChIKeyGBNZAEKRZLWIAY-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.77
Rot. Bonds4

About 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole

1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (PubChem CID 118710906) has the molecular formula C25H26F3N5 and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
PubChem CID118710906
Molecular FormulaC25H26F3N5
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Name1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCN1CCN(Cc2c(-c3ccccc3)nn3cc(-c4ccc(C(F)(F)F)cc4)n(C)c23)CC1
InChIInChI=1S/C25H26F3N5/c1-30-12-14-32(15-13-30)16-21-23(19-6-4-3-5-7-19)29-33-17-22(31(2)24(21)33)18-8-10-20(11-9-18)25(26,27)28/h3-11,17H,12-16H2,1-2H3
InChIKeyGBNZAEKRZLWIAY-UHFFFAOYSA-N
XLogP4.77
TPSA28.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The IUPAC name of 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (CID 118710906) is 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.
What is the SMILES notation for 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The canonical SMILES for 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is CN1CCN(Cc2c(-c3ccccc3)nn3cc(-c4ccc(C(F)(F)F)cc4)n(C)c23)CC1.
What is the InChIKey of 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The InChIKey is GBNZAEKRZLWIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5/c1-30-12-14-32(15-13-30)16-21-23(19-6-4-3-5-7-19)29-33-17-22(31(2)24(21)33)18-8-10-20(11-9-18)25(26,27)28/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole has a molecular weight of 453.51 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).