3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H17F3N6O2 — CID 166632708

About 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 166632708) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 166632708
• Molecular Formula: C19H17F3N6O2
• Molecular Weight: 418.38 g/mol
• Exact Mass: 418.14
• IUPAC Name: 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: CC1CN(C(=O)Nc2cc(F)c(F)c(F)c2)Cc2c(N3CC(C#N)CC3=O)cnn21
• InChI: InChI=1S/C19H17F3N6O2/c1-10-7-26(19(30)25-12-3-13(20)18(22)14(21)4-12)9-16-15(6-24-28(10)16)27-8-11(5-23)2-17(27)29/h3-4,6,10-11H,2,7-9H2,1H3,(H,25,30)
• InChIKey: WHQIXBAEYMOHOQ-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 94.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.38
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 166632708) is 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1CN(C(=O)Nc2cc(F)c(F)c(F)c2)Cc2c(N3CC(C#N)CC3=O)cnn21.

What is the InChIKey of 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is WHQIXBAEYMOHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c1-10-7-26(19(30)25-12-3-13(20)18(22)14(21)4-12)9-16-15(6-24-28(10)16)27-8-11(5-23)2-17(27)29/h3-4,6,10-11H,2,7-9H2,1H3,(H,25,30).

What are the key properties of 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-cyano-2-oxopyrrolidin-1-yl)-7-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 166632708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).