2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide

C23H23ClN4O3 — CID 20956251

IUPAC2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)CN2CCn3nc(-c4ccc(Cl)cc4)cc3C2=O)cc1
InChIInChI=1S/C23H23ClN4O3/c1-2-31-19-9-3-16(4-10-19)14-25-22(29)15-27-11-12-28-21(23(27)30)13-20(26-28)17-5-7-18(24)8-6-17/h3-10,13H,2,11-12,14-15H2,1H3,(H,25,29)
InChIKeyDBIOMFQFBBCICL-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.37
Rot. Bonds7

About 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide

2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide (PubChem CID 20956251) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide
PubChem CID20956251
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)CN2CCn3nc(-c4ccc(Cl)cc4)cc3C2=O)cc1
InChIInChI=1S/C23H23ClN4O3/c1-2-31-19-9-3-16(4-10-19)14-25-22(29)15-27-11-12-28-21(23(27)30)13-20(26-28)17-5-7-18(24)8-6-17/h3-10,13H,2,11-12,14-15H2,1H3,(H,25,29)
InChIKeyDBIOMFQFBBCICL-UHFFFAOYSA-N
XLogP3.37
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 46344482
2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 20956227
5-[(4-chlorophenyl)methyl]-N-[(4-ethoxyphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 20964812
N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 20886561
(6R)-N-benzyl-5-[(4-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739351
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063810
5-benzyl-2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 25147602
N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857585
5-[(6-chloro-3-pyridinyl)methyl]-2-(4-methoxyphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 44589392
2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
CID 53213613
N-benzyl-2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 137444037
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29281740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide (CID 20956251) is 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide is CCOc1ccc(CNC(=O)CN2CCn3nc(-c4ccc(Cl)cc4)cc3C2=O)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide?
The InChIKey is DBIOMFQFBBCICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-2-31-19-9-3-16(4-10-19)14-25-22(29)15-27-11-12-28-21(23(27)30)13-20(26-28)17-5-7-18(24)8-6-17/h3-10,13H,2,11-12,14-15H2,1H3,(H,25,29).
What are the key properties of 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide?
2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide has a molecular weight of 438.92 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 20956251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).