N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide

C24H22N4O4 — CID 91892860

IUPACN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)cc1C
InChIInChI=1S/C24H22N4O4/c1-15-3-4-17(11-16(15)2)19-13-20-24(30)27(9-10-28(20)26-19)8-7-25-23(29)18-5-6-21-22(12-18)32-14-31-21/h3-6,9-13H,7-8,14H2,1-2H3,(H,25,29)
InChIKeyLCZPZJAOKAUCDT-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.94
Rot. Bonds5

About N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 91892860) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID91892860
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)cc1C
InChIInChI=1S/C24H22N4O4/c1-15-3-4-17(11-16(15)2)19-13-20-24(30)27(9-10-28(20)26-19)8-7-25-23(29)18-5-6-21-22(12-18)32-14-31-21/h3-6,9-13H,7-8,14H2,1-2H3,(H,25,29)
InChIKeyLCZPZJAOKAUCDT-UHFFFAOYSA-N
XLogP2.94
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 91892700
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
CID 91892874
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332247
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluoro-4-methoxybenzamide
CID 91892842
5-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53180204
N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
CID 91892931
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]quinoline-2-carboxamide
CID 91892847
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 91892859
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-propylpropanamide
CID 53332228
N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methylthiophene-2-carboxamide
CID 91892640
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 91892789
N-[2-[2-(2,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
CID 91892798

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide (CID 91892860) is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide is Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5c(c4)OCO5)ccn3n2)cc1C.
What is the InChIKey of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LCZPZJAOKAUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-15-3-4-17(11-16(15)2)19-13-20-24(30)27(9-10-28(20)26-19)8-7-25-23(29)18-5-6-21-22(12-18)32-14-31-21/h3-6,9-13H,7-8,14H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 91892860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).