N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H24ClF2N7O4 — CID 118522590

About N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118522590) has the molecular formula C24H24ClF2N7O4 and a molecular weight of 547.95 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118522590
• Molecular Formula: C24H24ClF2N7O4
• Molecular Weight: 547.95 g/mol
• Exact Mass: 547.15
• IUPAC Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cn(CC(O)CN2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
• InChI: InChI=1S/C24H24ClF2N7O4/c25-15-2-3-20(38-24(26)27)17(10-15)21-19(30-23(36)18-11-29-34-5-1-4-28-22(18)34)14-33(31-21)13-16(35)12-32-6-8-37-9-7-32/h1-5,10-11,14,16,24,35H,6-9,12-13H2,(H,30,36)
• InChIKey: FQTQILINGOGUJS-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 119.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.95
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118522590) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(CC(O)CN2CCOCC2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.

What is the InChIKey of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is FQTQILINGOGUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2N7O4/c25-15-2-3-20(38-24(26)27)17(10-15)21-19(30-23(36)18-11-29-34-5-1-4-28-22(18)34)14-33(31-21)13-16(35)12-32-6-8-37-9-7-32/h1-5,10-11,14,16,24,35H,6-9,12-13H2,(H,30,36).

What are the key properties of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 547.95 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(2-hydroxy-3-morpholin-4-ylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118522590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).