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

C22H19ClN4O2 — CID 16957045

IUPAC2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCCc1ccccc1
InChIInChI=1S/C22H19ClN4O2/c23-18-8-6-17(7-9-18)19-14-20-22(29)26(12-13-27(20)25-19)15-21(28)24-11-10-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,24,28)
InChIKeyAKVNITHYISHCQX-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.18
Rot. Bonds6

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

2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide (PubChem CID 16957045) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
PubChem CID16957045
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCCc1ccccc1
InChIInChI=1S/C22H19ClN4O2/c23-18-8-6-17(7-9-18)19-14-20-22(29)26(12-13-27(20)25-19)15-21(28)24-11-10-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,24,28)
InChIKeyAKVNITHYISHCQX-UHFFFAOYSA-N
XLogP3.18
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide
CID 16875796
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16875832
3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-phenylpropyl)propanamide
CID 53332375
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
N-[2-(4-chlorophenyl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953605
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 16957033
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 16811870
N-(2,5-difluorophenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956850
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 16956485
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29281740
N-(2-fluorophenyl)-2-[2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875760
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956872

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide (CID 16957045) is 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCCc1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is AKVNITHYISHCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-18-8-6-17(7-9-18)19-14-20-22(29)26(12-13-27(20)25-19)15-21(28)24-11-10-16-4-2-1-3-5-16/h1-9,12-14H,10-11,15H2,(H,24,28).
What are the key properties of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide?
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 406.87 g/mol, XLogP of 3.18, 6 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-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 16957045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).