7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21F3N6O — CID 19459988

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

7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19459988) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19459988
• Molecular Formula: C22H21F3N6O
• Molecular Weight: 442.45 g/mol
• Exact Mass: 442.17
• IUPAC Name: 7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cc(C)n(CCCNC(=O)c2cnn3c(C(F)F)cc(-c4ccc(F)cc4)nc23)n1
• InChI: InChI=1S/C22H21F3N6O/c1-13-10-14(2)30(29-13)9-3-8-26-22(32)17-12-27-31-19(20(24)25)11-18(28-21(17)31)15-4-6-16(23)7-5-15/h4-7,10-12,20H,3,8-9H2,1-2H3,(H,26,32)
• InChIKey: GXSIMBUWBDTOAF-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.45
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19459988) is 7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n(CCCNC(=O)c2cnn3c(C(F)F)cc(-c4ccc(F)cc4)nc23)n1.

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

The InChIKey is GXSIMBUWBDTOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O/c1-13-10-14(2)30(29-13)9-3-8-26-22(32)17-12-27-31-19(20(24)25)11-18(28-21(17)31)15-4-6-16(23)7-5-15/h4-7,10-12,20H,3,8-9H2,1-2H3,(H,26,32).

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

7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19459988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).