4-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-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 159200289) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-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-(methoxymethyl)-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	159200289
Molecular Formula	C21H23F3N4O3
Molecular Weight	436.43 g/mol
Exact Mass	436.17
IUPAC Name	4-(methoxymethyl)-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	COCC1CC(=O)N(c2cnn3c2CN(C(=O)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C3)C1
InChI	InChI=1S/C21H23F3N4O3/c1-12-8-28-18(17(7-25-28)27-9-14(11-31-2)6-20(27)30)10-26(12)19(29)5-13-3-15(22)21(24)16(23)4-13/h3-4,7,12,14H,5-6,8-11H2,1-2H3/t12-,14?/m0/s1
InChIKey	KPESAXLHBSKEDI-NBFOIZRFSA-N
XLogP	2.27
TPSA	67.67 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.43
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
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-(methoxymethyl)-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-(methoxymethyl)-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 159200289) is 4-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-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 COCC1CC(=O)N(c2cnn3c2CN(C(=O)Cc2cc(F)c(F)c(F)c2)[C@@H](C)C3)C1.

What is the InChIKey of 4-(methoxymethyl)-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 KPESAXLHBSKEDI-NBFOIZRFSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-12-8-28-18(17(7-25-28)27-9-14(11-31-2)6-20(27)30)10-26(12)19(29)5-13-3-15(22)21(24)16(23)4-13/h3-4,7,12,14H,5-6,8-11H2,1-2H3/t12-,14?/m0/s1.

What are the key properties of 4-(methoxymethyl)-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-(methoxymethyl)-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 436.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(methoxymethyl)-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 159200289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).