N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H29F2N7O3Si — CID 140956825

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

N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140956825) has the molecular formula C27H29F2N7O3Si and a molecular weight of 565.66 g/mol. Its IUPAC name is N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 140956825
• Molecular Formula: C27H29F2N7O3Si
• Molecular Weight: 565.66 g/mol
• Exact Mass: 565.21
• IUPAC Name: N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[Si](C)(C)CCOCn1ncc(NC(=O)c2cnn3cccnc23)c1-c1cc(C2CC2C#N)ccc1OC(F)F
• InChI: InChI=1S/C27H29F2N7O3Si/c1-40(2,3)10-9-38-16-36-24(20-11-17(19-12-18(19)13-30)5-6-23(20)39-27(28)29)22(15-33-36)34-26(37)21-14-32-35-8-4-7-31-25(21)35/h4-8,11,14-15,18-19,27H,9-10,12,16H2,1-3H3,(H,34,37)
• InChIKey: QSNOKPOGVUGKKY-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 119.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.66
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140956825) is N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[Si](C)(C)CCOCn1ncc(NC(=O)c2cnn3cccnc23)c1-c1cc(C2CC2C#N)ccc1OC(F)F.

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

The InChIKey is QSNOKPOGVUGKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O3Si/c1-40(2,3)10-9-38-16-36-24(20-11-17(19-12-18(19)13-30)5-6-23(20)39-27(28)29)22(15-33-36)34-26(37)21-14-32-35-8-4-7-31-25(21)35/h4-8,11,14-15,18-19,27H,9-10,12,16H2,1-3H3,(H,34,37).

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

N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 565.66 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(2-cyanocyclopropyl)-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140956825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).