tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C24H30F3N5O4 — CID 145440392

About tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 145440392) has the molecular formula C24H30F3N5O4 and a molecular weight of 509.53 g/mol. Its IUPAC name is tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• PubChem CID: 145440392
• Molecular Formula: C24H30F3N5O4
• Molecular Weight: 509.53 g/mol
• Exact Mass: 509.22
• IUPAC Name: tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
• SMILES: C[C@H]1Cn2ncc(N3C[C@@H](C(F)(F)F)N([C@@H](CO)c4ccccc4)C3=O)c2CN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C24H30F3N5O4/c1-15-11-31-18(12-29(15)22(35)36-23(2,3)4)17(10-28-31)30-13-20(24(25,26)27)32(21(30)34)19(14-33)16-8-6-5-7-9-16/h5-10,15,19-20,33H,11-14H2,1-4H3/t15-,19-,20-/m0/s1
• InChIKey: FLLFOORKVLOVEJ-YSSFQJQWSA-N
• XLogP: 3.93
• TPSA: 91.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.53
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The IUPAC name of tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 145440392) is tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

What is the SMILES notation for tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The canonical SMILES for tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is C[C@H]1Cn2ncc(N3C[C@@H](C(F)(F)F)N([C@@H](CO)c4ccccc4)C3=O)c2CN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

The InChIKey is FLLFOORKVLOVEJ-YSSFQJQWSA-N. The full InChI is InChI=1S/C24H30F3N5O4/c1-15-11-31-18(12-29(15)22(35)36-23(2,3)4)17(10-28-31)30-13-20(24(25,26)27)32(21(30)34)19(14-33)16-8-6-5-7-9-16/h5-10,15,19-20,33H,11-14H2,1-4H3/t15-,19-,20-/m0/s1.

What are the key properties of tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?

tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 509.53 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (6S)-3-[(4S)-3-[(1R)-2-hydroxy-1-phenylethyl]-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 145440392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).