2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H16N4O2 — CID 7998841

IUPAC2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccccc1C#N
InChIInChI=1S/C15H16N4O2/c1-10-15(11(2)19(3)18-10)17-14(20)9-21-13-7-5-4-6-12(13)8-16/h4-7H,9H2,1-3H3,(H,17,20)
InChIKeyBPSNBHVGGMRWRL-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.93
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 7998841) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID7998841
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)COc1ccccc1C#N
InChIInChI=1S/C15H16N4O2/c1-10-15(11(2)19(3)18-10)17-14(20)9-21-13-7-5-4-6-12(13)8-16/h4-7H,9H2,1-3H3,(H,17,20)
InChIKeyBPSNBHVGGMRWRL-UHFFFAOYSA-N
XLogP1.93
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 7998841) is 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is BPSNBHVGGMRWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-15(11(2)19(3)18-10)17-14(20)9-21-13-7-5-4-6-12(13)8-16/h4-7H,9H2,1-3H3,(H,17,20).
What are the key properties of 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 7998841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).