5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

About 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049508) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name	5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID	53049508
Molecular Formula	C28H32N4O3
Molecular Weight	472.59 g/mol
Exact Mass	472.25
IUPAC Name	5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILES	Cc1ccc(CNC(=O)C2(C)Cn3nc(-c4ccco4)cc3C(=O)N2CCC2=CCCCC2)cc1
InChI	InChI=1S/C28H32N4O3/c1-20-10-12-22(13-11-20)18-29-27(34)28(2)19-32-24(17-23(30-32)25-9-6-16-35-25)26(33)31(28)15-14-21-7-4-3-5-8-21/h6-7,9-13,16-17H,3-5,8,14-15,18-19H2,1-2H3,(H,29,34)
InChIKey	WPICSCXVCIMRQZ-UHFFFAOYSA-N
XLogP	4.87
TPSA	80.37 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049508) is 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(CNC(=O)C2(C)Cn3nc(-c4ccco4)cc3C(=O)N2CCC2=CCCCC2)cc1.

What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is WPICSCXVCIMRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-20-10-12-22(13-11-20)18-29-27(34)28(2)19-32-24(17-23(30-32)25-9-6-16-35-25)26(33)31(28)15-14-21-7-4-3-5-8-21/h6-7,9-13,16-17H,3-5,8,14-15,18-19H2,1-2H3,(H,29,34).

What are the key properties of 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).