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

C21H17ClN4O3 — CID 8721630

IUPACN-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ccn3n2)cc1
InChIInChI=1S/C21H17ClN4O3/c1-29-17-8-2-14(3-9-17)18-12-19-21(28)25(10-11-26(19)24-18)13-20(27)23-16-6-4-15(22)5-7-16/h2-12H,13H2,1H3,(H,23,27)
InChIKeyFMGAOYDUTGCYQL-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.46
Rot. Bonds5

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

N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 8721630) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID8721630
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ccn3n2)cc1
InChIInChI=1S/C21H17ClN4O3/c1-29-17-8-2-14(3-9-17)18-12-19-21(28)25(10-11-26(19)24-18)13-20(27)23-16-6-4-15(22)5-7-16/h2-12H,13H2,1H3,(H,23,27)
InChIKeyFMGAOYDUTGCYQL-UHFFFAOYSA-N
XLogP3.46
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 18592253
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16875832
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875784
ethyl 4-[[2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 50795732
N-(2-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 20960302
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
2-[11-(4-chlorophenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]-N-(4-methoxyphenyl)acetamide
CID 56684962
N-(4-bromo-2-fluorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875789
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956891
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 16957033

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 8721630) is N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4ccc(Cl)cc4)ccn3n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is FMGAOYDUTGCYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-29-17-8-2-14(3-9-17)18-12-19-21(28)25(10-11-26(19)24-18)13-20(27)23-16-6-4-15(22)5-7-16/h2-12H,13H2,1H3,(H,23,27).
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 408.85 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 8721630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).