5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride

C22H25F5N8O2 — CID 145153170

About 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride

5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride (PubChem CID 145153170) has the molecular formula C22H25F5N8O2 and a molecular weight of 528.49 g/mol. Its IUPAC name is 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride.

Molecular Properties

• Compound Name: 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride
• PubChem CID: 145153170
• Molecular Formula: C22H25F5N8O2
• Molecular Weight: 528.49 g/mol
• Exact Mass: 528.20
• IUPAC Name: 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride
• SMILES: CC(F)C(=O)F.Cn1cc(NC(=O)c2cnn3ccc(N4CCNC(C5CC5)C4)nc23)c(C(F)(F)F)n1
• InChI: InChI=1S/C19H21F3N8O.C3H4F2O/c1-28-9-14(16(27-28)19(20,21)22)25-18(31)12-8-24-30-6-4-15(26-17(12)30)29-7-5-23-13(10-29)11-2-3-11;1-2(4)3(5)6/h4,6,8-9,11,13,23H,2-3,5,7,10H2,1H3,(H,25,31);2H,1H3
• InChIKey: QVRQZIXEDKXSCA-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 109.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.49
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride?

The IUPAC name of 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride (CID 145153170) is 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride.

What is the SMILES notation for 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride?

The canonical SMILES for 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride is CC(F)C(=O)F.Cn1cc(NC(=O)c2cnn3ccc(N4CCNC(C5CC5)C4)nc23)c(C(F)(F)F)n1.

What is the InChIKey of 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride?

The InChIKey is QVRQZIXEDKXSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N8O.C3H4F2O/c1-28-9-14(16(27-28)19(20,21)22)25-18(31)12-8-24-30-6-4-15(26-17(12)30)29-7-5-23-13(10-29)11-2-3-11;1-2(4)3(5)6/h4,6,8-9,11,13,23H,2-3,5,7,10H2,1H3,(H,25,31);2H,1H3.

What are the key properties of 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride?

5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride has a molecular weight of 528.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-cyclopropylpiperazin-1-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-fluoropropanoyl fluoride is sourced from PubChem (CID 145153170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).