7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C20H24N4O2 — CID 137481068

IUPAC7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCC(C)Nc1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C20H24N4O2/c1-6-13(4)21-16-10-15(20(25)26)22-19-18(14(5)23-24(16)19)17-11(2)8-7-9-12(17)3/h7-10,13,21H,6H2,1-5H3,(H,25,26)
InChIKeyRGHQSVSUHHLZDQ-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.23
Rot. Bonds5

About 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481068) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481068
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCC(C)Nc1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C20H24N4O2/c1-6-13(4)21-16-10-15(20(25)26)22-19-18(14(5)23-24(16)19)17-11(2)8-7-9-12(17)3/h7-10,13,21H,6H2,1-5H3,(H,25,26)
InChIKeyRGHQSVSUHHLZDQ-UHFFFAOYSA-N
XLogP4.23
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481068) is 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCC(C)Nc1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12.
What is the InChIKey of 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is RGHQSVSUHHLZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-6-13(4)21-16-10-15(20(25)26)22-19-18(14(5)23-24(16)19)17-11(2)8-7-9-12(17)3/h7-10,13,21H,6H2,1-5H3,(H,25,26).
What are the key properties of 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 352.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(butan-2-ylamino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).