N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H20F2N6O4 — CID 164729970

About N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164729970) has the molecular formula C26H20F2N6O4 and a molecular weight of 518.48 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164729970
• Molecular Formula: C26H20F2N6O4
• Molecular Weight: 518.48 g/mol
• Exact Mass: 518.15
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cn(C2COC2)nc1-c1cc(Oc2ccccc2)ccc1OC(F)F)c1cnn2cccnc12
• InChI: InChI=1S/C26H20F2N6O4/c27-26(28)38-22-8-7-18(37-17-5-2-1-3-6-17)11-19(22)23-21(13-34(32-23)16-14-36-15-16)31-25(35)20-12-30-33-10-4-9-29-24(20)33/h1-13,16,26H,14-15H2,(H,31,35)
• InChIKey: ZUWVJLCOBLHEPL-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 104.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.48
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164729970) is N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(C2COC2)nc1-c1cc(Oc2ccccc2)ccc1OC(F)F)c1cnn2cccnc12.

What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZUWVJLCOBLHEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6O4/c27-26(28)38-22-8-7-18(37-17-5-2-1-3-6-17)11-19(22)23-21(13-34(32-23)16-14-36-15-16)31-25(35)20-12-30-33-10-4-9-29-24(20)33/h1-13,16,26H,14-15H2,(H,31,35).

What are the key properties of N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 518.48 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-phenoxyphenyl]-1-(oxetan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164729970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).