2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

C13H14N6O — CID 47131251

IUPAC2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc3ccccc32)n(C)n1
InChIInChI=1S/C13H14N6O/c1-9-7-12(18(2)16-9)14-13(20)8-19-11-6-4-3-5-10(11)15-17-19/h3-7H,8H2,1-2H3,(H,14,20)
InChIKeyBFQCVOAJUNRUNQ-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.11
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 47131251) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID47131251
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc3ccccc32)n(C)n1
InChIInChI=1S/C13H14N6O/c1-9-7-12(18(2)16-9)14-13(20)8-19-11-6-4-3-5-10(11)15-17-19/h3-7H,8H2,1-2H3,(H,14,20)
InChIKeyBFQCVOAJUNRUNQ-UHFFFAOYSA-N
XLogP1.11
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzotriazol-1-yl)-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 51288230
2-(benzotriazol-1-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 35593189
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7504195
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
N-(3-acetylphenyl)-2-(benzotriazol-1-yl)acetamide
CID 863030
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
N-[3-[[2-(benzotriazol-1-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 24657521
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342132
2-(benzotriazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19468957
2-(benzotriazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19408136
4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid
CID 855546

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 47131251) is 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nnc3ccccc32)n(C)n1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is BFQCVOAJUNRUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-9-7-12(18(2)16-9)14-13(20)8-19-11-6-4-3-5-10(11)15-17-19/h3-7H,8H2,1-2H3,(H,14,20).
What are the key properties of 2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 270.30 g/mol, XLogP of 1.11, 3 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-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 47131251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).