2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide

C20H20N6O — CID 51288230

IUPAC2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)Cn2nnc3ccccc32)c1
InChIInChI=1S/C20H20N6O/c1-13-8-14(2)10-16(9-13)26-19(11-15(3)23-26)21-20(27)12-25-18-7-5-4-6-17(18)22-24-25/h4-11H,12H2,1-3H3,(H,21,27)
InChIKeyIYXJWGZWCCZJOR-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.18
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide

2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 51288230) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID51288230
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(C)cc(-n2nc(C)cc2NC(=O)Cn2nnc3ccccc32)c1
InChIInChI=1S/C20H20N6O/c1-13-8-14(2)10-16(9-13)26-19(11-15(3)23-26)21-20(27)12-25-18-7-5-4-6-17(18)22-24-25/h4-11H,12H2,1-3H3,(H,21,27)
InChIKeyIYXJWGZWCCZJOR-UHFFFAOYSA-N
XLogP3.18
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 35593189
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934627
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 30835421
2-(benzotriazol-1-yl)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 43989192
2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7504195
[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 55374030
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 51123237
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide
CID 55377416

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide (CID 51288230) is 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(C)cc(-n2nc(C)cc2NC(=O)Cn2nnc3ccccc32)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is IYXJWGZWCCZJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-8-14(2)10-16(9-13)26-19(11-15(3)23-26)21-20(27)12-25-18-7-5-4-6-17(18)22-24-25/h4-11H,12H2,1-3H3,(H,21,27).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 51288230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).