7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H15F5N6O — CID 19286955

About 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19286955) has the molecular formula C24H15F5N6O and a molecular weight of 498.42 g/mol. Its IUPAC name is 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19286955
• Molecular Formula: C24H15F5N6O
• Molecular Weight: 498.42 g/mol
• Exact Mass: 498.12
• IUPAC Name: 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(-c2ccnc3c(C(=O)Nc4ccn(Cc5c(F)c(F)c(F)c(F)c5F)n4)cnn23)cc1
• InChI: InChI=1S/C24H15F5N6O/c1-12-2-4-13(5-3-12)16-6-8-30-23-14(10-31-35(16)23)24(36)32-17-7-9-34(33-17)11-15-18(25)20(27)22(29)21(28)19(15)26/h2-10H,11H2,1H3,(H,32,33,36)
• InChIKey: ZGEABOIEINQZSX-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.42
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19286955) is 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)Nc4ccn(Cc5c(F)c(F)c(F)c(F)c5F)n4)cnn23)cc1.

What is the InChIKey of 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZGEABOIEINQZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F5N6O/c1-12-2-4-13(5-3-12)16-6-8-30-23-14(10-31-35(16)23)24(36)32-17-7-9-34(33-17)11-15-18(25)20(27)22(29)21(28)19(15)26/h2-10H,11H2,1H3,(H,32,33,36).

What are the key properties of 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 498.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-methylphenyl)-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19286955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).