7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H21F2N9O2 — CID 19336951

About 7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19336951) has the molecular formula C24H21F2N9O2 and a molecular weight of 505.49 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19336951
• Molecular Formula: C24H21F2N9O2
• Molecular Weight: 505.49 g/mol
• Exact Mass: 505.18
• IUPAC Name: 7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cn1cc(CNC(=O)c2c(NC(=O)c3cnn4c(C(F)F)cc(-c5ccccc5)nc34)cnn2C)cn1
• InChI: InChI=1S/C24H21F2N9O2/c1-33-13-14(10-28-33)9-27-24(37)20-18(12-29-34(20)2)32-23(36)16-11-30-35-19(21(25)26)8-17(31-22(16)35)15-6-4-3-5-7-15/h3-8,10-13,21H,9H2,1-2H3,(H,27,37)(H,32,36)
• InChIKey: MULYBDKFMZWVIR-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 124.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.49
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19336951) is 7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(CNC(=O)c2c(NC(=O)c3cnn4c(C(F)F)cc(-c5ccccc5)nc34)cnn2C)cn1.

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

The InChIKey is MULYBDKFMZWVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N9O2/c1-33-13-14(10-28-33)9-27-24(37)20-18(12-29-34(20)2)32-23(36)16-11-30-35-19(21(25)26)8-17(31-22(16)35)15-6-4-3-5-7-15/h3-8,10-13,21H,9H2,1-2H3,(H,27,37)(H,32,36).

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

7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 505.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19336951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).