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

C17H18N4O2 — CID 137481017

IUPAC3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C17H18N4O2/c1-9-6-5-7-10(2)14(9)15-11(3)20-21-13(18-4)8-12(17(22)23)19-16(15)21/h5-8,18H,1-4H3,(H,22,23)
InChIKeyDQEJAJLTJSTHHF-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.06
Rot. Bonds3

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

3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481017) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481017
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C17H18N4O2/c1-9-6-5-7-10(2)14(9)15-11(3)20-21-13(18-4)8-12(17(22)23)19-16(15)21/h5-8,18H,1-4H3,(H,22,23)
InChIKeyDQEJAJLTJSTHHF-UHFFFAOYSA-N
XLogP3.06
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481017) is 3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CNc1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is DQEJAJLTJSTHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-9-6-5-7-10(2)14(9)15-11(3)20-21-13(18-4)8-12(17(22)23)19-16(15)21/h5-8,18H,1-4H3,(H,22,23).
What are the key properties of 3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 310.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).