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

C20H22N4O2 — CID 137481089

IUPAC3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(N3CCCC3)cc(C(=O)O)nc12
InChIInChI=1S/C20H22N4O2/c1-12-7-6-8-13(2)17(12)18-14(3)22-24-16(23-9-4-5-10-23)11-15(20(25)26)21-19(18)24/h6-8,11H,4-5,9-10H2,1-3H3,(H,25,26)
InChIKeyHCWKZOGWZSCGKJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.62
Rot. Bonds3

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

3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481089) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481089
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(N3CCCC3)cc(C(=O)O)nc12
InChIInChI=1S/C20H22N4O2/c1-12-7-6-8-13(2)17(12)18-14(3)22-24-16(23-9-4-5-10-23)11-15(20(25)26)21-19(18)24/h6-8,11H,4-5,9-10H2,1-3H3,(H,25,26)
InChIKeyHCWKZOGWZSCGKJ-UHFFFAOYSA-N
XLogP3.62
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.62
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-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481089) is 3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cccc(C)c1-c1c(C)nn2c(N3CCCC3)cc(C(=O)O)nc12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is HCWKZOGWZSCGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-7-6-8-13(2)17(12)18-14(3)22-24-16(23-9-4-5-10-23)11-15(20(25)26)21-19(18)24/h6-8,11H,4-5,9-10H2,1-3H3,(H,25,26).
What are the key properties of 3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-(2,6-dimethylphenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 3.62, 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-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).