N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

C16H18N6O2 — CID 171138723

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESCc1cc(CNC(=O)COc2ncn(-c3ccccc3)n2)n(C)n1
InChIInChI=1S/C16H18N6O2/c1-12-8-14(21(2)19-12)9-17-15(23)10-24-16-18-11-22(20-16)13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H,17,23)
InChIKeyLIXFUMOGTRVFFG-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.00
Rot. Bonds6

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (PubChem CID 171138723) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
PubChem CID171138723
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
SMILESCc1cc(CNC(=O)COc2ncn(-c3ccccc3)n2)n(C)n1
InChIInChI=1S/C16H18N6O2/c1-12-8-14(21(2)19-12)9-17-15(23)10-24-16-18-11-22(20-16)13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H,17,23)
InChIKeyLIXFUMOGTRVFFG-UHFFFAOYSA-N
XLogP1.00
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 1486531
N-[3-(2-methoxyphenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138808
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 110210593
N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138786
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-8-yl)oxy]acetamide
CID 100829037
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110851373
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(pyridin-2-ylmethyl)acetamide
CID 100819848
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 135804235
1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138674

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide (CID 171138723) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is Cc1cc(CNC(=O)COc2ncn(-c3ccccc3)n2)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
The InChIKey is LIXFUMOGTRVFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-12-8-14(21(2)19-12)9-17-15(23)10-24-16-18-11-22(20-16)13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H,17,23).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide is sourced from PubChem (CID 171138723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).