2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide

C14H16N6O — CID 19294552

IUPAC2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1nccc1CNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C14H16N6O/c1-2-19-11(7-8-16-19)9-15-14(21)10-20-13-6-4-3-5-12(13)17-18-20/h3-8H,2,9-10H2,1H3,(H,15,21)
InChIKeyLUOPRJZAVYYDOZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.96
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide

2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide (PubChem CID 19294552) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
PubChem CID19294552
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1nccc1CNC(=O)Cn1nnc2ccccc21
InChIInChI=1S/C14H16N6O/c1-2-19-11(7-8-16-19)9-15-14(21)10-20-13-6-4-3-5-12(13)17-18-20/h3-8H,2,9-10H2,1H3,(H,15,21)
InChIKeyLUOPRJZAVYYDOZ-UHFFFAOYSA-N
XLogP0.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide
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CID 19331301
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
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2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
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N-(benzotriazol-1-ylmethyl)propanamide
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5-[[[2-(benzotriazol-1-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
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2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
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2-(benzotriazol-1-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24582303
[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide (CID 19294552) is 2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide is CCn1nccc1CNC(=O)Cn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide?
The InChIKey is LUOPRJZAVYYDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-2-19-11(7-8-16-19)9-15-14(21)10-20-13-6-4-3-5-12(13)17-18-20/h3-8H,2,9-10H2,1H3,(H,15,21).
What are the key properties of 2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide has a molecular weight of 284.32 g/mol, XLogP of 0.96, 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-[(2-ethylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19294552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).