7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H19F3N6O — CID 19460008

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

7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19460008) has the molecular formula C25H19F3N6O and a molecular weight of 476.46 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19460008
• Molecular Formula: C25H19F3N6O
• Molecular Weight: 476.46 g/mol
• Exact Mass: 476.16
• IUPAC Name: 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cccc(Cn2ccc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccc(F)cc5)nc34)n2)c1
• InChI: InChI=1S/C25H19F3N6O/c1-15-3-2-4-16(11-15)14-33-10-9-22(32-33)31-25(35)19-13-29-34-21(23(27)28)12-20(30-24(19)34)17-5-7-18(26)8-6-17/h2-13,23H,14H2,1H3,(H,31,32,35)
• InChIKey: JVEPKNKPKSKGHX-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.46
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19460008) is 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cccc(Cn2ccc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccc(F)cc5)nc34)n2)c1.

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

The InChIKey is JVEPKNKPKSKGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O/c1-15-3-2-4-16(11-15)14-33-10-9-22(32-33)31-25(35)19-13-29-34-21(23(27)28)12-20(30-24(19)34)17-5-7-18(26)8-6-17/h2-13,23H,14H2,1H3,(H,31,32,35).

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

7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 476.46 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-5-(4-fluorophenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19460008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).