(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H19ClF3N5O — CID 121378694

About (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 121378694) has the molecular formula C20H19ClF3N5O and a molecular weight of 437.85 g/mol. Its IUPAC name is (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 121378694
• Molecular Formula: C20H19ClF3N5O
• Molecular Weight: 437.85 g/mol
• Exact Mass: 437.12
• IUPAC Name: (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: CC(C)c1ncc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)c(Cl)c2)C[C@@H]3C)[nH]1
• InChI: InChI=1S/C20H19ClF3N5O/c1-10(2)18-25-8-16(27-18)13-7-26-29-11(3)9-28(19(30)17(13)29)12-4-5-14(15(21)6-12)20(22,23)24/h4-8,10-11H,9H2,1-3H3,(H,25,27)/t11-/m0/s1
• InChIKey: TXUWCZDXESWZIC-NSHDSACASA-N
• XLogP: 5.29
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.85
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 121378694) is (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(C)c1ncc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)c(Cl)c2)C[C@@H]3C)[nH]1.

What is the InChIKey of (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is TXUWCZDXESWZIC-NSHDSACASA-N. The full InChI is InChI=1S/C20H19ClF3N5O/c1-10(2)18-25-8-16(27-18)13-7-26-29-11(3)9-28(19(30)17(13)29)12-4-5-14(15(21)6-12)20(22,23)24/h4-8,10-11H,9H2,1-3H3,(H,25,27)/t11-/m0/s1.

What are the key properties of (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 437.85 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-3-(2-propan-2-yl-1H-imidazol-5-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 121378694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).