N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C21H20N6O2 — CID 17494264

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C21H20N6O2/c1-25(12-17-11-22-26(14-17)13-16-7-3-2-4-8-16)20(28)15-27-21(29)18-9-5-6-10-19(18)23-24-27/h2-11,14H,12-13,15H2,1H3
InChIKeyOIHJYSWDQDSGKD-UHFFFAOYSA-N
MW388.43 g/mol
LogP1.69
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 17494264) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID17494264
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C21H20N6O2/c1-25(12-17-11-22-26(14-17)13-16-7-3-2-4-8-16)20(28)15-27-21(29)18-9-5-6-10-19(18)23-24-27/h2-11,14H,12-13,15H2,1H3
InChIKeyOIHJYSWDQDSGKD-UHFFFAOYSA-N
XLogP1.69
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
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CID 27795536
3-benzyl-1-[(1-benzylpyrazol-4-yl)methyl]-1-methylurea
CID 24664584
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
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3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide
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N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55612014
1-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-3-naphthalen-1-ylurea
CID 17488706
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N-[(1-benzylpyrazol-4-yl)methyl]-N-methylbicyclo[1.1.0]butane-1-carboxamide
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N-[(1-benzylpyrazol-4-yl)methyl]-2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-methylacetamide
CID 46637923
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-phenylbutanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 17494264) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is OIHJYSWDQDSGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-25(12-17-11-22-26(14-17)13-16-7-3-2-4-8-16)20(28)15-27-21(29)18-9-5-6-10-19(18)23-24-27/h2-11,14H,12-13,15H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 388.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 17494264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).