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

C22H20N4O2 — CID 137481001

IUPAC7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(Nc3ccccc3)cc(C(=O)O)nc12
InChIInChI=1S/C22H20N4O2/c1-13-8-7-9-14(2)19(13)20-15(3)25-26-18(23-16-10-5-4-6-11-16)12-17(22(27)28)24-21(20)26/h4-12,23H,1-3H3,(H,27,28)
InChIKeyMNWLYACPBWTTSA-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.76
Rot. Bonds4

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

7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481001) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481001
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1cccc(C)c1-c1c(C)nn2c(Nc3ccccc3)cc(C(=O)O)nc12
InChIInChI=1S/C22H20N4O2/c1-13-8-7-9-14(2)19(13)20-15(3)25-26-18(23-16-10-5-4-6-11-16)12-17(22(27)28)24-21(20)26/h4-12,23H,1-3H3,(H,27,28)
InChIKeyMNWLYACPBWTTSA-UHFFFAOYSA-N
XLogP4.76
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481001) is 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1cccc(C)c1-c1c(C)nn2c(Nc3ccccc3)cc(C(=O)O)nc12.
What is the InChIKey of 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is MNWLYACPBWTTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13-8-7-9-14(2)19(13)20-15(3)25-26-18(23-16-10-5-4-6-11-16)12-17(22(27)28)24-21(20)26/h4-12,23H,1-3H3,(H,27,28).
What are the key properties of 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 372.43 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).