N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

C23H21BrN4O3 — CID 50795645

IUPACN-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Br)c(C)c4)ccn3n2)cc1
InChIInChI=1S/C23H21BrN4O3/c1-3-31-18-7-4-16(5-8-18)20-13-21-23(30)27(10-11-28(21)26-20)14-22(29)25-17-6-9-19(24)15(2)12-17/h4-13H,3,14H2,1-2H3,(H,25,29)
InChIKeyAXFUEORAESDATR-UHFFFAOYSA-N
MW481.35 g/mol
LogP4.27
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 50795645) has the molecular formula C23H21BrN4O3 and a molecular weight of 481.35 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID50795645
Molecular FormulaC23H21BrN4O3
Molecular Weight481.35 g/mol
Exact Mass480.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Br)c(C)c4)ccn3n2)cc1
InChIInChI=1S/C23H21BrN4O3/c1-3-31-18-7-4-16(5-8-18)20-13-21-23(30)27(10-11-28(21)26-20)14-22(29)25-17-6-9-19(24)15(2)12-17/h4-13H,3,14H2,1-2H3,(H,25,29)
InChIKeyAXFUEORAESDATR-UHFFFAOYSA-N
XLogP4.27
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 18592253
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16804946
2-[2-(4-butoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 50742930
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875785
N-(3-chloro-4-methylphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875770
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
ethyl 4-[[2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 50795732
2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 16956906
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956857
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 18592320
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875784
N-[2-(dimethylamino)ethyl]-3-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332434

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 50795645) is N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is CCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Br)c(C)c4)ccn3n2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is AXFUEORAESDATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O3/c1-3-31-18-7-4-16(5-8-18)20-13-21-23(30)27(10-11-28(21)26-20)14-22(29)25-17-6-9-19(24)15(2)12-17/h4-13H,3,14H2,1-2H3,(H,25,29).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 481.35 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 50795645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).