7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

C25H27N5 — CID 8741379

IUPAC7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cnn3c(N4CCN(Cc5ccccc5)CC4)cc(C)nc23)cc1
InChIInChI=1S/C25H27N5/c1-19-8-10-22(11-9-19)23-17-26-30-24(16-20(2)27-25(23)30)29-14-12-28(13-15-29)18-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyQLMLMAHCEYJWLB-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.34
Rot. Bonds4

About 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 8741379) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID8741379
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cnn3c(N4CCN(Cc5ccccc5)CC4)cc(C)nc23)cc1
InChIInChI=1S/C25H27N5/c1-19-8-10-22(11-9-19)23-17-26-30-24(16-20(2)27-25(23)30)29-14-12-28(13-15-29)18-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyQLMLMAHCEYJWLB-UHFFFAOYSA-N
XLogP4.34
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 8741379) is 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2cnn3c(N4CCN(Cc5ccccc5)CC4)cc(C)nc23)cc1.
What is the InChIKey of 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QLMLMAHCEYJWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-19-8-10-22(11-9-19)23-17-26-30-24(16-20(2)27-25(23)30)29-14-12-28(13-15-29)18-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3.
What are the key properties of 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine?
7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 397.53 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 8741379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).