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

C26H21F3N6O2 — CID 19401028

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

5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19401028) has the molecular formula C26H21F3N6O2 and a molecular weight of 506.49 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 19401028
• Molecular Formula: C26H21F3N6O2
• Molecular Weight: 506.49 g/mol
• Exact Mass: 506.17
• IUPAC Name: 5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccn(Cc5cccc(C)c5)n4)cc3n2)cc1
• InChI: InChI=1S/C26H21F3N6O2/c1-16-4-3-5-17(12-16)15-34-11-10-23(33-34)31-25(36)21-14-24-30-20(18-6-8-19(37-2)9-7-18)13-22(26(27,28)29)35(24)32-21/h3-14H,15H2,1-2H3,(H,31,33,36)
• InChIKey: MVCBSBNZYORKAD-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.49
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19401028) is 5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

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

The canonical SMILES for 5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccn(Cc5cccc(C)c5)n4)cc3n2)cc1.

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

The InChIKey is MVCBSBNZYORKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2/c1-16-4-3-5-17(12-16)15-34-11-10-23(33-34)31-25(36)21-14-24-30-20(18-6-8-19(37-2)9-7-18)13-22(26(27,28)29)35(24)32-21/h3-14H,15H2,1-2H3,(H,31,33,36).

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

5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19401028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).