2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide

C15H16N6O2 — CID 167772731

IUPAC2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide
SMILESNC(=O)COCc1cn(Cc2cc(-c3ccccc3)n[nH]2)nn1
InChIInChI=1S/C15H16N6O2/c16-15(22)10-23-9-13-8-21(20-18-13)7-12-6-14(19-17-12)11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H2,16,22)(H,17,19)
InChIKeyNRLOETDLZASWEU-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.72
Rot. Bonds7

About 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide

2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide (PubChem CID 167772731) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide.

Molecular Properties

Compound Name2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide
PubChem CID167772731
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide
SMILESNC(=O)COCc1cn(Cc2cc(-c3ccccc3)n[nH]2)nn1
InChIInChI=1S/C15H16N6O2/c16-15(22)10-23-9-13-8-21(20-18-13)7-12-6-14(19-17-12)11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H2,16,22)(H,17,19)
InChIKeyNRLOETDLZASWEU-UHFFFAOYSA-N
XLogP0.72
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide?
The IUPAC name of 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide (CID 167772731) is 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide.
What is the SMILES notation for 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide?
The canonical SMILES for 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide is NC(=O)COCc1cn(Cc2cc(-c3ccccc3)n[nH]2)nn1.
What is the InChIKey of 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide?
The InChIKey is NRLOETDLZASWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c16-15(22)10-23-9-13-8-21(20-18-13)7-12-6-14(19-17-12)11-4-2-1-3-5-11/h1-6,8H,7,9-10H2,(H2,16,22)(H,17,19).
What are the key properties of 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide?
2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide has a molecular weight of 312.33 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-phenyl-1H-pyrazol-5-yl)methyl]triazol-4-yl]methoxy]acetamide is sourced from PubChem (CID 167772731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).