N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide

C26H32N4O2 — CID 53332286

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESCC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCC4=CCCCC4)ccn3n2)cc1
InChIInChI=1S/C26H32N4O2/c1-19(2)21-8-10-22(11-9-21)23-18-24-26(32)29(16-17-30(24)28-23)15-13-25(31)27-14-12-20-6-4-3-5-7-20/h6,8-11,16-19H,3-5,7,12-15H2,1-2H3,(H,27,31)
InChIKeyIBXYCJBWRCKWRG-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.68
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide (PubChem CID 53332286) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
PubChem CID53332286
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESCC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCC4=CCCCC4)ccn3n2)cc1
InChIInChI=1S/C26H32N4O2/c1-19(2)21-8-10-22(11-9-21)23-18-24-26(32)29(16-17-30(24)28-23)15-13-25(31)27-14-12-20-6-4-3-5-7-20/h6,8-11,16-19H,3-5,7,12-15H2,1-2H3,(H,27,31)
InChIKeyIBXYCJBWRCKWRG-UHFFFAOYSA-N
XLogP4.68
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332340
N-[2-(dimethylamino)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332329
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-propylpropanamide
CID 53332228
3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-phenylpropyl)propanamide
CID 53332375
5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889270
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 51366084
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953640
N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332434
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 53332248
5-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889263
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332247
N-[2-(cyclohexen-1-yl)ethyl]-3-(1-phenylethylamino)propanamide
CID 109014640

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide (CID 53332286) is N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide is CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCC4=CCCCC4)ccn3n2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The InChIKey is IBXYCJBWRCKWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19(2)21-8-10-22(11-9-21)23-18-24-26(32)29(16-17-30(24)28-23)15-13-25(31)27-14-12-20-6-4-3-5-7-20/h6,8-11,16-19H,3-5,7,12-15H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[4-oxo-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrazin-5-yl]propanamide is sourced from PubChem (CID 53332286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).