2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide

C14H15BrN6O — CID 19323056

IUPAC2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide
SMILESCCn1ncc(Br)c1CNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C14H15BrN6O/c1-2-20-13(10(15)7-17-20)8-16-14(22)9-21-12-6-4-3-5-11(12)18-19-21/h3-7H,2,8-9H2,1H3,(H,16,22)
InChIKeyBHLVREOEUDXGSL-UHFFFAOYSA-N
MW363.22 g/mol
LogP1.73
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide

2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide (PubChem CID 19323056) has the molecular formula C14H15BrN6O and a molecular weight of 363.22 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide
PubChem CID19323056
Molecular FormulaC14H15BrN6O
Molecular Weight363.22 g/mol
Exact Mass362.05
IUPAC Name2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide
SMILESCCn1ncc(Br)c1CNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C14H15BrN6O/c1-2-20-13(10(15)7-17-20)8-16-14(22)9-21-12-6-4-3-5-11(12)18-19-21/h3-7H,2,8-9H2,1H3,(H,16,22)
InChIKeyBHLVREOEUDXGSL-UHFFFAOYSA-N
XLogP1.73
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294552
2-(benzotriazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19288641
2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide
CID 19331301
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
CID 19322995
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide
CID 19323151
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
5-[[[2-(benzotriazol-1-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
CID 71900117
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19521721

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide (CID 19323056) is 2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide is CCn1ncc(Br)c1CNC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide?
The InChIKey is BHLVREOEUDXGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6O/c1-2-20-13(10(15)7-17-20)8-16-14(22)9-21-12-6-4-3-5-11(12)18-19-21/h3-7H,2,8-9H2,1H3,(H,16,22).
What are the key properties of 2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide has a molecular weight of 363.22 g/mol, XLogP of 1.73, 5 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-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 19323056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).