3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H19ClF3N7O4 — CID 19464488

About 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19464488) has the molecular formula C25H19ClF3N7O4 and a molecular weight of 573.92 g/mol. Its IUPAC name is 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19464488
• Molecular Formula: C25H19ClF3N7O4
• Molecular Weight: 573.92 g/mol
• Exact Mass: 573.11
• IUPAC Name: 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cn(C)nc4C(=O)NCc4ccco4)c(Cl)c3n2)c1
• InChI: InChI=1S/C25H19ClF3N7O4/c1-35-12-17(20(33-35)23(37)30-11-15-7-4-8-40-15)32-24(38)21-19(26)22-31-16(13-5-3-6-14(9-13)39-2)10-18(25(27,28)29)36(22)34-21/h3-10,12H,11H2,1-2H3,(H,30,37)(H,32,38)
• InChIKey: YXFQBZFYNUUTQM-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 128.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.92
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19464488) is 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cn(C)nc4C(=O)NCc4ccco4)c(Cl)c3n2)c1.

What is the InChIKey of 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is YXFQBZFYNUUTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N7O4/c1-35-12-17(20(33-35)23(37)30-11-15-7-4-8-40-15)32-24(38)21-19(26)22-31-16(13-5-3-6-14(9-13)39-2)10-18(25(27,28)29)36(22)34-21/h3-10,12H,11H2,1-2H3,(H,30,37)(H,32,38).

What are the key properties of 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 573.92 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19464488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).