N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide

C20H23N7O2 — CID 146068429

IUPACN-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3C)n1
InChIInChI=1S/C20H23N7O2/c1-3-26-10-9-16(23-26)19(28)21-11-17-18-13-25(12-15-7-5-4-6-8-15)20(29)14(2)27(18)24-22-17/h4-10,14H,3,11-13H2,1-2H3,(H,21,28)
InChIKeyZWDGWYPUCBSLGA-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.53
Rot. Bonds6

About N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide

N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 146068429) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide
PubChem CID146068429
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3C)n1
InChIInChI=1S/C20H23N7O2/c1-3-26-10-9-16(23-26)19(28)21-11-17-18-13-25(12-15-7-5-4-6-8-15)20(29)14(2)27(18)24-22-17/h4-10,14H,3,11-13H2,1-2H3,(H,21,28)
InChIKeyZWDGWYPUCBSLGA-UHFFFAOYSA-N
XLogP1.53
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea
CID 146068432
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide
CID 146068464
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 146068458
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-4-ethylbenzenesulfonamide
CID 146068437
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide
CID 146068410
N,1-diethylpyrazole-3-carboxamide
CID 19262384
N-benzyl-1-cyclopropylpyrazole-3-carboxamide
CID 155012818
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide
CID 146068490
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide
CID 146068406
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208
N-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-1-ethylpyrazole-3-carboxamide
CID 125160202
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 146068482

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide (CID 146068429) is N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3C)n1.
What is the InChIKey of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is ZWDGWYPUCBSLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-3-26-10-9-16(23-26)19(28)21-11-17-18-13-25(12-15-7-5-4-6-8-15)20(29)14(2)27(18)24-22-17/h4-10,14H,3,11-13H2,1-2H3,(H,21,28).
What are the key properties of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide?
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 146068429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).