4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one

About 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one

4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one (PubChem CID 160999185) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name	4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
PubChem CID	160999185
Molecular Formula	C20H22F3N5O2
Molecular Weight	421.42 g/mol
Exact Mass	421.17
IUPAC Name	4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
SMILES	CNC1CC(=O)N(c2cnn3c2CN(C(=O)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C3)C1
InChI	InChI=1S/C20H22F3N5O2/c1-11-8-28-17(16(7-25-28)27-9-13(24-2)6-19(27)30)10-26(11)18(29)5-12-3-14(21)20(23)15(22)4-12/h3-4,7,11,13,24H,5-6,8-10H2,1-2H3/t11-,13?/m0/s1
InChIKey	TULROBPBWZFGBZ-AMGKYWFPSA-N
XLogP	1.60
TPSA	70.47 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.42
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?

The IUPAC name of 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one (CID 160999185) is 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one.

What is the SMILES notation for 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?

The canonical SMILES for 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one is CNC1CC(=O)N(c2cnn3c2CN(C(=O)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C3)C1.

What is the InChIKey of 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?

The InChIKey is TULROBPBWZFGBZ-AMGKYWFPSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-11-8-28-17(16(7-25-28)27-9-13(24-2)6-19(27)30)10-26(11)18(29)5-12-3-14(21)20(23)15(22)4-12/h3-4,7,11,13,24H,5-6,8-10H2,1-2H3/t11-,13?/m0/s1.

What are the key properties of 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?

4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one has a molecular weight of 421.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methylamino)-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 160999185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).