7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

C21H26N4 — CID 3790883

IUPAC7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC(C)CC(C)C2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C21H26N4/c1-14-10-15(2)13-24(12-14)19-11-16(3)22-21-20(17(4)23-25(19)21)18-8-6-5-7-9-18/h5-9,11,14-15H,10,12-13H2,1-4H3
InChIKeyDZDMZEUZRUVVJW-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.50
Rot. Bonds2

About 7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3790883) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID3790883
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC(C)CC(C)C2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C21H26N4/c1-14-10-15(2)13-24(12-14)19-11-16(3)22-21-20(17(4)23-25(19)21)18-8-6-5-7-9-18/h5-9,11,14-15H,10,12-13H2,1-4H3
InChIKeyDZDMZEUZRUVVJW-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)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 3790883) is 7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CC(C)CC(C)C2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DZDMZEUZRUVVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-14-10-15(2)13-24(12-14)19-11-16(3)22-21-20(17(4)23-25(19)21)18-8-6-5-7-9-18/h5-9,11,14-15H,10,12-13H2,1-4H3.
What are the key properties of 7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(3,5-dimethylpiperidin-1-yl)-2,5-dimethyl-3-phenylpyrazolo[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)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3790883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).