N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H32N8O3S — CID 66556798

About N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66556798) has the molecular formula C27H32N8O3S and a molecular weight of 548.67 g/mol. Its IUPAC name is N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 66556798
• Molecular Formula: C27H32N8O3S
• Molecular Weight: 548.67 g/mol
• Exact Mass: 548.23
• IUPAC Name: N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCS(=O)(=O)N1CC(N2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cc4)n3)CC2)C1
• InChI: InChI=1S/C27H32N8O3S/c1-3-39(37,38)33-17-22(18-33)32-13-9-20(10-14-32)24-15-25(35(31-24)21-7-5-19(2)6-8-21)30-27(36)23-16-29-34-12-4-11-28-26(23)34/h4-8,11-12,15-16,20,22H,3,9-10,13-14,17-18H2,1-2H3,(H,30,36)
• InChIKey: JMJNDORBAPXQPL-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 117.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.67
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66556798) is N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCS(=O)(=O)N1CC(N2CCC(c3cc(NC(=O)c4cnn5cccnc45)n(-c4ccc(C)cc4)n3)CC2)C1.

What is the InChIKey of N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JMJNDORBAPXQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O3S/c1-3-39(37,38)33-17-22(18-33)32-13-9-20(10-14-32)24-15-25(35(31-24)21-7-5-19(2)6-8-21)30-27(36)23-16-29-34-12-4-11-28-26(23)34/h4-8,11-12,15-16,20,22H,3,9-10,13-14,17-18H2,1-2H3,(H,30,36).

What are the key properties of N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 548.67 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-(1-ethylsulfonylazetidin-3-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66556798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).