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

C24H24N4O4 — CID 91892744

IUPACN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4OC)ccn3n2)cc1
InChIInChI=1S/C24H24N4O4/c1-3-32-18-10-8-17(9-11-18)20-16-21-24(30)27(14-15-28(21)26-20)13-12-25-23(29)19-6-4-5-7-22(19)31-2/h4-11,14-16H,3,12-13H2,1-2H3,(H,25,29)
InChIKeyBFMGQXCAFBRGSW-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]-2-methoxybenzamide

N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide (PubChem CID 91892744) 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]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide
PubChem CID91892744
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]-2-methoxybenzamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4OC)ccn3n2)cc1
InChIInChI=1S/C24H24N4O4/c1-3-32-18-10-8-17(9-11-18)20-16-21-24(30)27(14-15-28(21)26-20)13-12-25-23(29)19-6-4-5-7-22(19)31-2/h4-11,14-16H,3,12-13H2,1-2H3,(H,25,29)
InChIKeyBFMGQXCAFBRGSW-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide (CID 91892744) is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide is CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccccc4OC)ccn3n2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide?
The InChIKey is BFMGQXCAFBRGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-3-32-18-10-8-17(9-11-18)20-16-21-24(30)27(14-15-28(21)26-20)13-12-25-23(29)19-6-4-5-7-22(19)31-2/h4-11,14-16H,3,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-methoxybenzamide?
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-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]-2-methoxybenzamide is sourced from PubChem (CID 91892744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).