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

C23H21ClN4O4 — CID 16956990

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)ccn3n2)cc1OC
InChIInChI=1S/C23H21ClN4O4/c1-14-4-6-16(24)11-17(14)25-22(29)13-27-8-9-28-19(23(27)30)12-18(26-28)15-5-7-20(31-2)21(10-15)32-3/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyLWMIJZWKJCHLMK-UHFFFAOYSA-N
MW452.90 g/mol
LogP3.78
Rot. Bonds6

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

N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 16956990) has the molecular formula C23H21ClN4O4 and a molecular weight of 452.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID16956990
Molecular FormulaC23H21ClN4O4
Molecular Weight452.90 g/mol
Exact Mass452.13
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)ccn3n2)cc1OC
InChIInChI=1S/C23H21ClN4O4/c1-14-4-6-16(24)11-17(14)25-22(29)13-27-8-9-28-19(23(27)30)12-18(26-28)15-5-7-20(31-2)21(10-15)32-3/h4-12H,13H2,1-3H3,(H,25,29)
InChIKeyLWMIJZWKJCHLMK-UHFFFAOYSA-N
XLogP3.78
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.90
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16956891
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 18592253
N-(2-chloro-4-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 20960302
N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 50795616
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 16804946
2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 16957015
N-(3-chloro-4-methylphenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875770
N-(2-fluorophenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875760
N-(5-chloro-2-methylphenyl)-2-[11-(4-methylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-4-yl]acetamide
CID 56685282
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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide (CID 16956990) is N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)Nc4cc(Cl)ccc4C)ccn3n2)cc1OC.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is LWMIJZWKJCHLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4/c1-14-4-6-16(24)11-17(14)25-22(29)13-27-8-9-28-19(23(27)30)12-18(26-28)15-5-7-20(31-2)21(10-15)32-3/h4-12H,13H2,1-3H3,(H,25,29).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 452.90 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 16956990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).