ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C21H20N6O3 — CID 19279789

About ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 19279789) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• PubChem CID: 19279789
• Molecular Formula: C21H20N6O3
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.16
• IUPAC Name: ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
• SMILES: CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4cc(C)n(C)n4)c3)ccnc12
• InChI: InChI=1S/C21H20N6O3/c1-4-30-21(29)16-12-23-27-18(8-9-22-19(16)27)14-6-5-7-15(11-14)24-20(28)17-10-13(2)26(3)25-17/h5-12H,4H2,1-3H3,(H,24,28)
• InChIKey: BXIBNRMYUFYLTR-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 103.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The IUPAC name of ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 19279789) is ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

What is the SMILES notation for ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The canonical SMILES for ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4cc(C)n(C)n4)c3)ccnc12.

What is the InChIKey of ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

The InChIKey is BXIBNRMYUFYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-4-30-21(29)16-12-23-27-18(8-9-22-19(16)27)14-6-5-7-15(11-14)24-20(28)17-10-13(2)26(3)25-17/h5-12H,4H2,1-3H3,(H,24,28).

What are the key properties of ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?

ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 404.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 19279789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).