7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H18F2N6O — CID 1229813

About 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1229813) has the molecular formula C24H18F2N6O and a molecular weight of 444.45 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 1229813
• Molecular Formula: C24H18F2N6O
• Molecular Weight: 444.45 g/mol
• Exact Mass: 444.15
• IUPAC Name: 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(NCc1ccc(-n2cccn2)cc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
• InChI: InChI=1S/C24H18F2N6O/c25-22(26)21-13-20(17-5-2-1-3-6-17)30-23-19(15-29-32(21)23)24(33)27-14-16-7-9-18(10-8-16)31-12-4-11-28-31/h1-13,15,22H,14H2,(H,27,33)
• InChIKey: NLDOWEWYMKTYJJ-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.45
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1229813) is 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccc(-n2cccn2)cc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.

What is the InChIKey of 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is NLDOWEWYMKTYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O/c25-22(26)21-13-20(17-5-2-1-3-6-17)30-23-19(15-29-32(21)23)24(33)27-14-16-7-9-18(10-8-16)31-12-4-11-28-31/h1-13,15,22H,14H2,(H,27,33).

What are the key properties of 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 444.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-5-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1229813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).