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

C21H19ClN4O2 — CID 20886561

IUPACN-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
SMILESO=C(CN1CCn2nc(-c3ccccc3)cc2C1=O)NCc1ccccc1Cl
InChIInChI=1S/C21H19ClN4O2/c22-17-9-5-4-8-16(17)13-23-20(27)14-25-10-11-26-19(21(25)28)12-18(24-26)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2,(H,23,27)
InChIKeySLNAXLSGPFKYLI-UHFFFAOYSA-N
MW394.86 g/mol
LogP2.98
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide (PubChem CID 20886561) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
PubChem CID20886561
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
SMILESO=C(CN1CCn2nc(-c3ccccc3)cc2C1=O)NCc1ccccc1Cl
InChIInChI=1S/C21H19ClN4O2/c22-17-9-5-4-8-16(17)13-23-20(27)14-25-10-11-26-19(21(25)28)12-18(24-26)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2,(H,23,27)
InChIKeySLNAXLSGPFKYLI-UHFFFAOYSA-N
XLogP2.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 52.98
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-[(3-methylphenyl)methyl]acetamide
CID 20956227
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-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
5-benzyl-2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 25147602
(6R)-5-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739142
2-[2-(3-bromophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
CID 112707617
2-[4-oxo-2-(4-propan-2-ylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetic acid
CID 53213613
N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9209720
N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20920134
2-[[[2-[2-(4-chlorophenyl)-4-oxo-7-pentyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]methyl]benzoic acid
CID 137444106
N-[(2-chlorophenyl)methyl]-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157403
N-[(2-chlorophenyl)methyl]-2-(3-oxo-2-phenyl-1,4-diazaspiro[4.4]non-1-en-4-yl)acetamide
CID 91891056

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide (CID 20886561) is N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide is O=C(CN1CCn2nc(-c3ccccc3)cc2C1=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide?
The InChIKey is SLNAXLSGPFKYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-17-9-5-4-8-16(17)13-23-20(27)14-25-10-11-26-19(21(25)28)12-18(24-26)15-6-2-1-3-7-15/h1-9,12H,10-11,13-14H2,(H,23,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide has a molecular weight of 394.86 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)acetamide is sourced from PubChem (CID 20886561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).