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

C20H17F3N6O2 — CID 19292669

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

5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19292669) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19292669
• Molecular Formula: C20H17F3N6O2
• Molecular Weight: 430.39 g/mol
• Exact Mass: 430.14
• IUPAC Name: 5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccnn4C)c3n2)cc1
• InChI: InChI=1S/C20H17F3N6O2/c1-28-13(7-8-25-28)10-24-19(30)15-11-26-29-17(20(21,22)23)9-16(27-18(15)29)12-3-5-14(31-2)6-4-12/h3-9,11H,10H2,1-2H3,(H,24,30)
• InChIKey: MGOYCCBGGJRUFS-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.39
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19292669) is 5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccnn4C)c3n2)cc1.

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

The InChIKey is MGOYCCBGGJRUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c1-28-13(7-8-25-28)10-24-19(30)15-11-26-29-17(20(21,22)23)9-16(27-18(15)29)12-3-5-14(31-2)6-4-12/h3-9,11H,10H2,1-2H3,(H,24,30).

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

5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19292669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).