formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

C24H33N5O5 — CID 154911817

About formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (PubChem CID 154911817) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
• PubChem CID: 154911817
• Molecular Formula: C24H33N5O5
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.25
• IUPAC Name: formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
• SMILES: CC1CCCN(CCOc2ccccc2CN2CCn3nc(C#N)cc3C2)C1.O=CO.O=CO
• InChI: InChI=1S/C22H29N5O.2CH2O2/c1-18-5-4-8-25(15-18)11-12-28-22-7-3-2-6-19(22)16-26-9-10-27-21(17-26)13-20(14-23)24-27;2*2-1-3/h2-3,6-7,13,18H,4-5,8-12,15-17H2,1H3;2*1H,(H,2,3)
• InChIKey: MCOQANQCRLEDSW-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 131.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?

The IUPAC name of formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile (CID 154911817) is formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile.

What is the SMILES notation for formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?

The canonical SMILES for formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is CC1CCCN(CCOc2ccccc2CN2CCn3nc(C#N)cc3C2)C1.O=CO.O=CO.

What is the InChIKey of formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?

The InChIKey is MCOQANQCRLEDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O.2CH2O2/c1-18-5-4-8-25(15-18)11-12-28-22-7-3-2-6-19(22)16-26-9-10-27-21(17-26)13-20(14-23)24-27;2*2-1-3/h2-3,6-7,13,18H,4-5,8-12,15-17H2,1H3;2*1H,(H,2,3).

What are the key properties of formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile?

formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile has a molecular weight of 471.56 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formic acid;5-[[2-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 154911817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).