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

C25H26N4O3 — CID 91892746

IUPACN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)c(C)c4)ccn3n2)cc1
InChIInChI=1S/C25H26N4O3/c1-4-32-21-9-7-19(8-10-21)22-16-23-25(31)28(13-14-29(23)27-22)12-11-26-24(30)20-6-5-17(2)18(3)15-20/h5-10,13-16H,4,11-12H2,1-3H3,(H,26,30)
InChIKeySRMGGFSIMZTSQE-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.61
Rot. Bonds7

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

N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide (PubChem CID 91892746) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
PubChem CID91892746
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)c(C)c4)ccn3n2)cc1
InChIInChI=1S/C25H26N4O3/c1-4-32-21-9-7-19(8-10-21)22-16-23-25(31)28(13-14-29(23)27-22)12-11-26-24(30)20-6-5-17(2)18(3)15-20/h5-10,13-16H,4,11-12H2,1-3H3,(H,26,30)
InChIKeySRMGGFSIMZTSQE-UHFFFAOYSA-N
XLogP3.61
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide (CID 91892746) is N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide is CCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(C)c(C)c4)ccn3n2)cc1.
What is the InChIKey of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide?
The InChIKey is SRMGGFSIMZTSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-32-21-9-7-19(8-10-21)22-16-23-25(31)28(13-14-29(23)27-22)12-11-26-24(30)20-6-5-17(2)18(3)15-20/h5-10,13-16H,4,11-12H2,1-3H3,(H,26,30).
What are the key properties of N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide?
N-[2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-dimethylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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]-3,4-dimethylbenzamide is sourced from PubChem (CID 91892746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).