N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C50H41F5N14O7 — CID 165092546

About N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 165092546) has the molecular formula C50H41F5N14O7 and a molecular weight of 1044.96 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 165092546
• Molecular Formula: C50H41F5N14O7
• Molecular Weight: 1044.96 g/mol
• Exact Mass: 1044.32
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(F)n1cc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1.CCC(=O)c1ccc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cc1
• InChI: InChI=1S/C27H22F2N6O4.C23H19F3N8O3/c1-3-22(36)16-5-7-17(8-6-16)38-18-9-10-23(39-27(28)29)19(13-18)24-21(15-34(2)33-24)32-26(37)20-14-31-35-12-4-11-30-25(20)35;1-13(24)34-11-15(9-28-34)36-14-4-5-19(37-23(25)26)16(8-14)20-18(12-32(2)31-20)30-22(35)17-10-29-33-7-3-6-27-21(17)33/h4-15,27H,3H2,1-2H3,(H,32,37);3-13,23H,1-2H3,(H,30,35)
• InChIKey: WYMVGXXDENVQNX-UHFFFAOYSA-N
• XLogP: 9.83
• TPSA: 226.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.96
LogP ≤ 5	9.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 165092546) is N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(F)n1cc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cn1.CCC(=O)c1ccc(Oc2ccc(OC(F)F)c(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c2)cc1.

What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is WYMVGXXDENVQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N6O4.C23H19F3N8O3/c1-3-22(36)16-5-7-17(8-6-16)38-18-9-10-23(39-27(28)29)19(13-18)24-21(15-34(2)33-24)32-26(37)20-14-31-35-12-4-11-30-25(20)35;1-13(24)34-11-15(9-28-34)36-14-4-5-19(37-23(25)26)16(8-14)20-18(12-32(2)31-20)30-22(35)17-10-29-33-7-3-6-27-21(17)33/h4-15,27H,3H2,1-2H3,(H,32,37);3-13,23H,1-2H3,(H,30,35).

What are the key properties of N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1044.96 g/mol, XLogP of 9.83, 17 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-[1-(1-fluoroethyl)pyrazol-4-yl]oxyphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-(4-propanoylphenoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165092546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).