7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H21N9O3S — CID 19414790

About 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414790) has the molecular formula C23H21N9O3S and a molecular weight of 503.55 g/mol. Its IUPAC name is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19414790
• Molecular Formula: C23H21N9O3S
• Molecular Weight: 503.55 g/mol
• Exact Mass: 503.15
• IUPAC Name: 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCn1cc(-c2ccnc3c(C(=O)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)cnn23)c(C)n1
• InChI: InChI=1S/C23H21N9O3S/c1-3-31-14-19(15(2)29-31)20-9-12-24-21-18(13-27-32(20)21)22(33)28-16-5-7-17(8-6-16)36(34,35)30-23-25-10-4-11-26-23/h4-14H,3H2,1-2H3,(H,28,33)(H,25,26,30)
• InChIKey: RRQDRLPJYPMYFF-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 149.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.55
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414790) is 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(-c2ccnc3c(C(=O)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)cnn23)c(C)n1.

What is the InChIKey of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is RRQDRLPJYPMYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N9O3S/c1-3-31-14-19(15(2)29-31)20-9-12-24-21-18(13-27-32(20)21)22(33)28-16-5-7-17(8-6-16)36(34,35)30-23-25-10-4-11-26-23/h4-14H,3H2,1-2H3,(H,28,33)(H,25,26,30).

What are the key properties of 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.55 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-ethyl-3-methylpyrazol-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).