N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide

C24H24N4O4 — CID 91892743

IUPACN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(OC)c4)ccn3n2)cc1
InChIInChI=1S/C24H24N4O4/c1-3-32-19-9-7-17(8-10-19)21-16-22-24(30)27(13-14-28(22)26-21)12-11-25-23(29)18-5-4-6-20(15-18)31-2/h4-10,13-16H,3,11-12H2,1-2H3,(H,25,29)
InChIKeyBGVZNXVULVTUFT-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.00
Rot. Bonds8

About N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide

N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide (PubChem CID 91892743) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide
PubChem CID91892743
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(OC)c4)ccn3n2)cc1
InChIInChI=1S/C24H24N4O4/c1-3-32-19-9-7-17(8-10-19)21-16-22-24(30)27(13-14-28(22)26-21)12-11-25-23(29)18-5-4-6-20(15-18)31-2/h4-10,13-16H,3,11-12H2,1-2H3,(H,25,29)
InChIKeyBGVZNXVULVTUFT-UHFFFAOYSA-N
XLogP3.00
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892925
3-(dimethylamino)-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892706
N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
CID 91892931
3-(dimethylamino)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892927
4-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892918
2,6-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892885
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2,5-difluorobenzamide
CID 91892722
N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 91892700
2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide
CID 91892902
2-fluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892920
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332402
2,5-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892897

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide (CID 91892743) is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide is CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4cccc(OC)c4)ccn3n2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide?
The InChIKey is BGVZNXVULVTUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-3-32-19-9-7-17(8-10-19)21-16-22-24(30)27(13-14-28(22)26-21)12-11-25-23(29)18-5-4-6-20(15-18)31-2/h4-10,13-16H,3,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide?
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide has a molecular weight of 432.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 91892743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).