N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F3N7O3 — CID 121361586

About N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121361586) has the molecular formula C21H20F3N7O3 and a molecular weight of 475.43 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 121361586
• Molecular Formula: C21H20F3N7O3
• Molecular Weight: 475.43 g/mol
• Exact Mass: 475.16
• IUPAC Name: N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1cn2ncc(C(=O)N[C@@H](c3ccc(OC(F)(F)F)cc3)C(C)(C)O)c2nc1-n1ccnn1
• InChI: InChI=1S/C21H20F3N7O3/c1-12-11-31-18(28-17(12)30-9-8-25-29-30)15(10-26-31)19(32)27-16(20(2,3)33)13-4-6-14(7-5-13)34-21(22,23)24/h4-11,16,33H,1-3H3,(H,27,32)/t16-/m0/s1
• InChIKey: XSIYABIOKNEDFY-INIZCTEOSA-N
• XLogP: 2.76
• TPSA: 119.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.43
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121361586) is N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cn2ncc(C(=O)N[C@@H](c3ccc(OC(F)(F)F)cc3)C(C)(C)O)c2nc1-n1ccnn1.

What is the InChIKey of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is XSIYABIOKNEDFY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20F3N7O3/c1-12-11-31-18(28-17(12)30-9-8-25-29-30)15(10-26-31)19(32)27-16(20(2,3)33)13-4-6-14(7-5-13)34-21(22,23)24/h4-11,16,33H,1-3H3,(H,27,32)/t16-/m0/s1.

What are the key properties of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methyl-5-(triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121361586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).