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

C18H19N7O2 — CID 146046708

IUPAC2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCN1CCn2nc(-c3nc(CC(N)=O)nn3Cc3ccccc3)cc2C1=O
InChIInChI=1S/C18H19N7O2/c1-23-7-8-24-14(18(23)27)9-13(21-24)17-20-16(10-15(19)26)22-25(17)11-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H2,19,26)
InChIKeyQZRWWLOLVQUHJI-UHFFFAOYSA-N
MW365.40 g/mol
LogP0.30
Rot. Bonds5

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

2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146046708) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146046708
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCN1CCn2nc(-c3nc(CC(N)=O)nn3Cc3ccccc3)cc2C1=O
InChIInChI=1S/C18H19N7O2/c1-23-7-8-24-14(18(23)27)9-13(21-24)17-20-16(10-15(19)26)22-25(17)11-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H2,19,26)
InChIKeyQZRWWLOLVQUHJI-UHFFFAOYSA-N
XLogP0.30
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043038
2-[2-[(2-chlorophenyl)methyl]-5-ethyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146046205
2-(2-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146039624
2-[5-[hydroxy(phenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043250
5-benzyl-2-(4-chlorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 25147602
2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-1-(2-phenylethyl)-1,2,4-triazol-3-yl]acetamide
CID 97438435
N,5-dibenzyl-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078708
5-methyl-2-[2-(3-methylphenyl)-5-(5-methyl-1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043158
4-oxo-5-(4-phenylbutyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 155912974
2-benzyl-4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-one
CID 3772206
1-benzyl-4-methylpiperazine-2,3-dione;ethane
CID 142485528
2-methyl-8-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 146041793

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide (CID 146046708) is 2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide is CN1CCn2nc(-c3nc(CC(N)=O)nn3Cc3ccccc3)cc2C1=O.
What is the InChIKey of 2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is QZRWWLOLVQUHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c1-23-7-8-24-14(18(23)27)9-13(21-24)17-20-16(10-15(19)26)22-25(17)11-12-5-3-2-4-6-12/h2-6,9H,7-8,10-11H2,1H3,(H2,19,26).
What are the key properties of 2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 365.40 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146046708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).