(5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H25F3N6O3 — CID 136843417

About (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136843417) has the molecular formula C26H25F3N6O3 and a molecular weight of 526.52 g/mol. Its IUPAC name is (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 136843417
• Molecular Formula: C26H25F3N6O3
• Molecular Weight: 526.52 g/mol
• Exact Mass: 526.19
• IUPAC Name: (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3N2)cc1
• InChI: InChI=1S/C26H25F3N6O3/c1-15-22(25(37)35(33(15)2)17-7-5-4-6-8-17)32-24(36)19-14-30-34-21(26(27,28)29)13-20(31-23(19)34)16-9-11-18(38-3)12-10-16/h4-12,14,20-21,31H,13H2,1-3H3,(H,32,36)/t20-,21+/m0/s1
• InChIKey: PPGRAHYXEVTJJI-LEWJYISDSA-N
• XLogP: 4.60
• TPSA: 95.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.52
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136843417) is (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3N2)cc1.

What is the InChIKey of (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PPGRAHYXEVTJJI-LEWJYISDSA-N. The full InChI is InChI=1S/C26H25F3N6O3/c1-15-22(25(37)35(33(15)2)17-7-5-4-6-8-17)32-24(36)19-14-30-34-21(26(27,28)29)13-20(31-23(19)34)16-9-11-18(38-3)12-10-16/h4-12,14,20-21,31H,13H2,1-3H3,(H,32,36)/t20-,21+/m0/s1.

What are the key properties of (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

(5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 526.52 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,7R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136843417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).