6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C19H22F3N3O — CID 20965239

About 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 20965239) has the molecular formula C19H22F3N3O and a molecular weight of 365.40 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
• PubChem CID: 20965239
• Molecular Formula: C19H22F3N3O
• Molecular Weight: 365.40 g/mol
• Exact Mass: 365.17
• IUPAC Name: 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
• SMILES: Cc1ccc2n1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2C(C)C
• InChI: InChI=1S/C19H22F3N3O/c1-12(2)17-16-8-7-13(3)24(16)9-10-25(17)18(26)23-15-6-4-5-14(11-15)19(20,21)22/h4-8,11-12,17H,9-10H2,1-3H3,(H,23,26)
• InChIKey: RFLMLAIGBXDEKJ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 37.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.40
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

The IUPAC name of 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 20965239) is 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

What is the SMILES notation for 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

The canonical SMILES for 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc2n1CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C2C(C)C.

What is the InChIKey of 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

The InChIKey is RFLMLAIGBXDEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O/c1-12(2)17-16-8-7-13(3)24(16)9-10-25(17)18(26)23-15-6-4-5-14(11-15)19(20,21)22/h4-8,11-12,17H,9-10H2,1-3H3,(H,23,26).

What are the key properties of 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?

6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 20965239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).