N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide

C22H22N4O4 — CID 73340696

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
SMILESO=C(CN1C=CN2NC(c3ccccc3)CC2C1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H22N4O4/c27-21(23-12-15-6-7-19-20(10-15)30-14-29-19)13-25-8-9-26-18(22(25)28)11-17(24-26)16-4-2-1-3-5-16/h1-10,17-18,24H,11-14H2,(H,23,27)
InChIKeyLWLLMRJUHJNGJE-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.67
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide (PubChem CID 73340696) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
PubChem CID73340696
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
SMILESO=C(CN1C=CN2NC(c3ccccc3)CC2C1=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C22H22N4O4/c27-21(23-12-15-6-7-19-20(10-15)30-14-29-19)13-25-8-9-26-18(22(25)28)11-17(24-26)16-4-2-1-3-5-16/h1-10,17-18,24H,11-14H2,(H,23,27)
InChIKeyLWLLMRJUHJNGJE-UHFFFAOYSA-N
XLogP1.67
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 75550545
2-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetonitrile
CID 75158933
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide;hydrochloride
CID 120761926
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553096
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenacylpiperazin-1-yl)acetamide
CID 11429359
(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 154923238
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 2862795
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]-N-benzylacetamide
CID 74535414
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-formylpyrrol-1-yl)acetamide
CID 71821970
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]acetamide
CID 99871295

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide (CID 73340696) is N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide is O=C(CN1C=CN2NC(c3ccccc3)CC2C1=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide?
The InChIKey is LWLLMRJUHJNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c27-21(23-12-15-6-7-19-20(10-15)30-14-29-19)13-25-8-9-26-18(22(25)28)11-17(24-26)16-4-2-1-3-5-16/h1-10,17-18,24H,11-14H2,(H,23,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide is sourced from PubChem (CID 73340696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).