2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine

C24H26N5+ — CID 7596250

IUPAC2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(N3CC[NH+](C)CC3)cc(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C24H25N5/c1-18-23(20-11-7-4-8-12-20)24-25-21(19-9-5-3-6-10-19)17-22(29(24)26-18)28-15-13-27(2)14-16-28/h3-12,17H,13-16H2,1-2H3/p+1
InChIKeyNQQIOUQMTMUKLZ-UHFFFAOYSA-O
MW384.51 g/mol
LogP2.71
Rot. Bonds3

About 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine

2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine (PubChem CID 7596250) has the molecular formula C24H26N5+ and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine
PubChem CID7596250
Molecular FormulaC24H26N5+
Molecular Weight384.51 g/mol
Exact Mass384.22
IUPAC Name2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(N3CC[NH+](C)CC3)cc(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C24H25N5/c1-18-23(20-11-7-4-8-12-20)24-25-21(19-9-5-3-6-10-19)17-22(29(24)26-18)28-15-13-27(2)14-16-28/h3-12,17H,13-16H2,1-2H3/p+1
InChIKeyNQQIOUQMTMUKLZ-UHFFFAOYSA-O
XLogP2.71
TPSA37.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 8741337
ethane;methane;2-methyl-5-(4-methylphenyl)-7-(4-methylpiperazin-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 163269415
5-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 7632813
3-(4-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 4969997
7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3790883
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 20861586
2-methyl-3,5-diphenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 17172566
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
1-[4-[7-[3-[7-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl]phenyl]heptyl]piperazin-1-yl]ethanone
CID 165399039
2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092679
tert-butyl N-[2-[3-(2-methyl-3-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]ethyl]carbamate
CID 165398915
7-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3785760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine (CID 7596250) is 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(N3CC[NH+](C)CC3)cc(-c3ccccc3)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NQQIOUQMTMUKLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N5/c1-18-23(20-11-7-4-8-12-20)24-25-21(19-9-5-3-6-10-19)17-22(29(24)26-18)28-15-13-27(2)14-16-28/h3-12,17H,13-16H2,1-2H3/p+1.
What are the key properties of 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine?
2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 384.51 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3,5-diphenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 7596250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).