(5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H29F3N6O3 — CID 993975

About (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

(5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 993975) has the molecular formula C24H29F3N6O3 and a molecular weight of 506.53 g/mol. Its IUPAC name is (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 993975
• Molecular Formula: C24H29F3N6O3
• Molecular Weight: 506.53 g/mol
• Exact Mass: 506.23
• IUPAC Name: (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-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)N(C)Cc4c(C)nn(C)c4C)c3N2)cc1OC
• InChI: InChI=1S/C24H29F3N6O3/c1-13-17(14(2)32(4)30-13)12-31(3)23(34)16-11-28-33-21(24(25,26)27)10-18(29-22(16)33)15-7-8-19(35-5)20(9-15)36-6/h7-9,11,18,21,29H,10,12H2,1-6H3/t18-,21-/m0/s1
• InChIKey: GRFUFPSUBXQOMY-RXVVDRJESA-N
• XLogP: 4.18
• TPSA: 86.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.53
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 993975) is (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-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)N(C)Cc4c(C)nn(C)c4C)c3N2)cc1OC.

What is the InChIKey of (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GRFUFPSUBXQOMY-RXVVDRJESA-N. The full InChI is InChI=1S/C24H29F3N6O3/c1-13-17(14(2)32(4)30-13)12-31(3)23(34)16-11-28-33-21(24(25,26)27)10-18(29-22(16)33)15-7-8-19(35-5)20(9-15)36-6/h7-9,11,18,21,29H,10,12H2,1-6H3/t18-,21-/m0/s1.

What are the key properties of (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?

(5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 506.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,7S)-5-(3,4-dimethoxyphenyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 993975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).