2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide

C22H21ClN4O2 — CID 20956227

IUPAC2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN2CCn3nc(-c4ccc(Cl)cc4)cc3C2=O)c1
InChIInChI=1S/C22H21ClN4O2/c1-15-3-2-4-16(11-15)13-24-21(28)14-26-9-10-27-20(22(26)29)12-19(25-27)17-5-7-18(23)8-6-17/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,28)
InChIKeyVPAWHHUAYNMQGO-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.28
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide

2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 20956227) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID20956227
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CN2CCn3nc(-c4ccc(Cl)cc4)cc3C2=O)c1
InChIInChI=1S/C22H21ClN4O2/c1-15-3-2-4-16(11-15)13-24-21(28)14-26-9-10-27-20(22(26)29)12-19(25-27)17-5-7-18(23)8-6-17/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,28)
InChIKeyVPAWHHUAYNMQGO-UHFFFAOYSA-N
XLogP3.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20956251
N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 20886561
5-benzyl-2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 25147602
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
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
2-[4-(4-chlorophenyl)-3-cyclopropyl-5-methyl-2-oxoimidazol-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 71174733
N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 46344482
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53041860
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873

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-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide (CID 20956227) is 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CN2CCn3nc(-c4ccc(Cl)cc4)cc3C2=O)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is VPAWHHUAYNMQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-15-3-2-4-16(11-15)13-24-21(28)14-26-9-10-27-20(22(26)29)12-19(25-27)17-5-7-18(23)8-6-17/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,28).
What are the key properties of 2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide?
2-[2-(4-chlorophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 408.89 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 20956227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).