2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F2N6O5S — CID 175710239

About 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 175710239) has the molecular formula C21H20F2N6O5S and a molecular weight of 506.49 g/mol. Its IUPAC name is 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 175710239
• Molecular Formula: C21H20F2N6O5S
• Molecular Weight: 506.49 g/mol
• Exact Mass: 506.12
• IUPAC Name: 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(CO)S(=O)(=O)c1ccc(OC(F)F)c(-c2nn(C)cc2-c2nn3cccnc3c2C(N)=O)c1
• InChI: InChI=1S/C21H20F2N6O5S/c1-11(10-30)35(32,33)12-4-5-15(34-21(22)23)13(8-12)17-14(9-28(2)26-17)18-16(19(24)31)20-25-6-3-7-29(20)27-18/h3-9,11,21,30H,10H2,1-2H3,(H2,24,31)
• InChIKey: HSSJLCHIBNMCLK-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 154.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.49
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 175710239) is 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(CO)S(=O)(=O)c1ccc(OC(F)F)c(-c2nn(C)cc2-c2nn3cccnc3c2C(N)=O)c1.

What is the InChIKey of 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is HSSJLCHIBNMCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O5S/c1-11(10-30)35(32,33)12-4-5-15(34-21(22)23)13(8-12)17-14(9-28(2)26-17)18-16(19(24)31)20-25-6-3-7-29(20)27-18/h3-9,11,21,30H,10H2,1-2H3,(H2,24,31).

What are the key properties of 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(difluoromethoxy)-5-(1-hydroxypropan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 175710239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).