7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine

C21H26N4 — CID 3229911

IUPAC7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2cc3nc(C)cc(N4CC(C)CC(C)C4)n3n2)c1
InChIInChI=1S/C21H26N4/c1-14-6-5-7-18(9-14)19-11-20-22-17(4)10-21(25(20)23-19)24-12-15(2)8-16(3)13-24/h5-7,9-11,15-16H,8,12-13H2,1-4H3
InChIKeyOHVOXORFXIGMNU-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.50
Rot. Bonds2

About 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine

7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 3229911) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID3229911
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cccc(-c2cc3nc(C)cc(N4CC(C)CC(C)C4)n3n2)c1
InChIInChI=1S/C21H26N4/c1-14-6-5-7-18(9-14)19-11-20-22-17(4)10-21(25(20)23-19)24-12-15(2)8-16(3)13-24/h5-7,9-11,15-16H,8,12-13H2,1-4H3
InChIKeyOHVOXORFXIGMNU-UHFFFAOYSA-N
XLogP4.50
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine (CID 3229911) is 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine is Cc1cccc(-c2cc3nc(C)cc(N4CC(C)CC(C)C4)n3n2)c1.
What is the InChIKey of 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OHVOXORFXIGMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-14-6-5-7-18(9-14)19-11-20-22-17(4)10-21(25(20)23-19)24-12-15(2)8-16(3)13-24/h5-7,9-11,15-16H,8,12-13H2,1-4H3.
What are the key properties of 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine?
7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 334.47 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpiperidin-1-yl)-5-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3229911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).