N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

C23H22N4O3 — CID 8721635

IUPACN-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4C)ccn3n2)cc1
InChIInChI=1S/C23H22N4O3/c1-15-4-5-16(2)19(12-15)24-22(28)14-26-10-11-27-21(23(26)29)13-20(25-27)17-6-8-18(30-3)9-7-17/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyQROUGFIECQCNNA-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.43
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 8721635) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID8721635
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4C)ccn3n2)cc1
InChIInChI=1S/C23H22N4O3/c1-15-4-5-16(2)19(12-15)24-22(28)14-26-10-11-27-21(23(26)29)13-20(25-27)17-6-8-18(30-3)9-7-17/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyQROUGFIECQCNNA-UHFFFAOYSA-N
XLogP3.43
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 8721635) is N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(C)ccc4C)ccn3n2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is QROUGFIECQCNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-4-5-16(2)19(12-15)24-22(28)14-26-10-11-27-21(23(26)29)13-20(25-27)17-6-8-18(30-3)9-7-17/h4-13H,14H2,1-3H3,(H,24,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 402.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 8721635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).