7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H24N6O — CID 46974575

About 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46974575) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 46974575
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nn(C)c(C)c1CC(C)NC(=O)c1cnn2c(-c3ccccc3)ccnc12
• InChI: InChI=1S/C22H24N6O/c1-14(12-18-15(2)26-27(4)16(18)3)25-22(29)19-13-24-28-20(10-11-23-21(19)28)17-8-6-5-7-9-17/h5-11,13-14H,12H2,1-4H3,(H,25,29)
• InChIKey: CFONKQSCXQDQGH-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46974575) is 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn(C)c(C)c1CC(C)NC(=O)c1cnn2c(-c3ccccc3)ccnc12.

What is the InChIKey of 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is CFONKQSCXQDQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14(12-18-15(2)26-27(4)16(18)3)25-22(29)19-13-24-28-20(10-11-23-21(19)28)17-8-6-5-7-9-17/h5-11,13-14H,12H2,1-4H3,(H,25,29).

What are the key properties of 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46974575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).