3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

C21H26N4O — CID 3356001

IUPAC3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(N3CCC(C)CC3)cc(C)nc12
InChIInChI=1S/C21H26N4O/c1-14-9-11-24(12-10-14)19-13-15(2)22-21-20(16(3)23-25(19)21)17-7-5-6-8-18(17)26-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyXJJVOWHTZIMHBC-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.26
Rot. Bonds3

About 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine

3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 3356001) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID3356001
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1c(C)nn2c(N3CCC(C)CC3)cc(C)nc12
InChIInChI=1S/C21H26N4O/c1-14-9-11-24(12-10-14)19-13-15(2)22-21-20(16(3)23-25(19)21)17-7-5-6-8-18(17)26-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyXJJVOWHTZIMHBC-UHFFFAOYSA-N
XLogP4.26
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 3356001) is 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1c(C)nn2c(N3CCC(C)CC3)cc(C)nc12.
What is the InChIKey of 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is XJJVOWHTZIMHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-9-11-24(12-10-14)19-13-15(2)22-21-20(16(3)23-25(19)21)17-7-5-6-8-18(17)26-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine?
3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 350.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3356001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).