3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C21H24N4O2 — CID 137481121

IUPAC3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(N3CCCCC3)cc(C(=O)O)nc12
InChIInChI=1S/C21H24N4O2/c1-13-8-7-9-14(2)18(13)19-15(3)23-25-17(24-10-5-4-6-11-24)12-16(21(26)27)22-20(19)25/h7-9,12H,4-6,10-11H2,1-3H3,(H,26,27)
InChIKeyJOQWYVYVZCFMIQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.01
Rot. Bonds3

About 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481121) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481121
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(N3CCCCC3)cc(C(=O)O)nc12
InChIInChI=1S/C21H24N4O2/c1-13-8-7-9-14(2)18(13)19-15(3)23-25-17(24-10-5-4-6-11-24)12-16(21(26)27)22-20(19)25/h7-9,12H,4-6,10-11H2,1-3H3,(H,26,27)
InChIKeyJOQWYVYVZCFMIQ-UHFFFAOYSA-N
XLogP4.01
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481121) is 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cccc(C)c1-c1c(C)nn2c(N3CCCCC3)cc(C(=O)O)nc12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is JOQWYVYVZCFMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-8-7-9-14(2)18(13)19-15(3)23-25-17(24-10-5-4-6-11-24)12-16(21(26)27)22-20(19)25/h7-9,12H,4-6,10-11H2,1-3H3,(H,26,27).
What are the key properties of 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 364.45 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).