7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C24H24N4O2 — CID 137480958

IUPAC7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccc(N(C)c2cc(C(=O)O)nc3c(-c4c(C)cccc4C)c(C)nn23)cc1
InChIInChI=1S/C24H24N4O2/c1-14-9-11-18(12-10-14)27(5)20-13-19(24(29)30)25-23-22(17(4)26-28(20)23)21-15(2)7-6-8-16(21)3/h6-13H,1-5H3,(H,29,30)
InChIKeyNMGZOWZQSXMTCM-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.10
Rot. Bonds4

About 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137480958) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137480958
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccc(N(C)c2cc(C(=O)O)nc3c(-c4c(C)cccc4C)c(C)nn23)cc1
InChIInChI=1S/C24H24N4O2/c1-14-9-11-18(12-10-14)27(5)20-13-19(24(29)30)25-23-22(17(4)26-28(20)23)21-15(2)7-6-8-16(21)3/h6-13H,1-5H3,(H,29,30)
InChIKeyNMGZOWZQSXMTCM-UHFFFAOYSA-N
XLogP5.10
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137480958) is 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1ccc(N(C)c2cc(C(=O)O)nc3c(-c4c(C)cccc4C)c(C)nn23)cc1.
What is the InChIKey of 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is NMGZOWZQSXMTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-14-9-11-18(12-10-14)27(5)20-13-19(24(29)30)25-23-22(17(4)26-28(20)23)21-15(2)7-6-8-16(21)3/h6-13H,1-5H3,(H,29,30).
What are the key properties of 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 400.48 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(N,4-dimethylanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137480958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).