N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane

C25H23ClF2N8O3 — CID 142622308

About N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane

N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane (PubChem CID 142622308) has the molecular formula C25H23ClF2N8O3 and a molecular weight of 556.96 g/mol. Its IUPAC name is N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane
• PubChem CID: 142622308
• Molecular Formula: C25H23ClF2N8O3
• Molecular Weight: 556.96 g/mol
• Exact Mass: 556.15
• IUPAC Name: N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane
• SMILES: CC.CN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)c(C#N)cc3OC(F)F)n2)C1=O
• InChI: InChI=1S/C23H17ClF2N8O3.C2H6/c1-32-6-3-17(22(32)36)34-11-16(30-21(35)14-10-29-33-5-2-4-28-20(14)33)19(31-34)13-8-15(24)12(9-27)7-18(13)37-23(25)26;1-2/h2,4-5,7-8,10-11,17,23H,3,6H2,1H3,(H,30,35);1-2H3
• InChIKey: ZMGXUJHNNBBTAR-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 130.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.96
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane?

The IUPAC name of N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane (CID 142622308) is N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane.

What is the SMILES notation for N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane?

The canonical SMILES for N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane is CC.CN1CCC(n2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)c(C#N)cc3OC(F)F)n2)C1=O.

What is the InChIKey of N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane?

The InChIKey is ZMGXUJHNNBBTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N8O3.C2H6/c1-32-6-3-17(22(32)36)34-11-16(30-21(35)14-10-29-33-5-2-4-28-20(14)33)19(31-34)13-8-15(24)12(9-27)7-18(13)37-23(25)26;1-2/h2,4-5,7-8,10-11,17,23H,3,6H2,1H3,(H,30,35);1-2H3.

What are the key properties of N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane?

N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane has a molecular weight of 556.96 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-chloro-4-cyano-2-(difluoromethoxy)phenyl]-1-(1-methyl-2-oxopyrrolidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;ethane is sourced from PubChem (CID 142622308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).