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

C20H24N4O2 — CID 137481067

IUPAC3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCN(C)c1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C20H24N4O2/c1-6-10-23(5)16-11-15(20(25)26)21-19-18(14(4)22-24(16)19)17-12(2)8-7-9-13(17)3/h7-9,11H,6,10H2,1-5H3,(H,25,26)
InChIKeyDPSFIZZMHOULRO-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.87
Rot. Bonds5

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

3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481067) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481067
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCN(C)c1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C20H24N4O2/c1-6-10-23(5)16-11-15(20(25)26)21-19-18(14(4)22-24(16)19)17-12(2)8-7-9-13(17)3/h7-9,11H,6,10H2,1-5H3,(H,25,26)
InChIKeyDPSFIZZMHOULRO-UHFFFAOYSA-N
XLogP3.87
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.87
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-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481067) is 3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCCN(C)c1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is DPSFIZZMHOULRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-6-10-23(5)16-11-15(20(25)26)21-19-18(14(4)22-24(16)19)17-12(2)8-7-9-13(17)3/h7-9,11H,6,10H2,1-5H3,(H,25,26).
What are the key properties of 3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-(2,6-dimethylphenyl)-2-methyl-7-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 352.44 g/mol, XLogP of 3.87, 5 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-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).