2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide

C15H16N4O2 — CID 62904626

IUPAC2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCC(C)n1cc(NC(=O)COc2ccccc2C#N)cn1
InChIInChI=1S/C15H16N4O2/c1-11(2)19-9-13(8-17-19)18-15(20)10-21-14-6-4-3-5-12(14)7-16/h3-6,8-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyNWIWNZHRGRLNKE-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.35
Rot. Bonds5

About 2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide

2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 62904626) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID62904626
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCC(C)n1cc(NC(=O)COc2ccccc2C#N)cn1
InChIInChI=1S/C15H16N4O2/c1-11(2)19-9-13(8-17-19)18-15(20)10-21-14-6-4-3-5-12(14)7-16/h3-6,8-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyNWIWNZHRGRLNKE-UHFFFAOYSA-N
XLogP2.35
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-cyanophenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
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2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide (CID 62904626) is 2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide is CC(C)n1cc(NC(=O)COc2ccccc2C#N)cn1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is NWIWNZHRGRLNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11(2)19-9-13(8-17-19)18-15(20)10-21-14-6-4-3-5-12(14)7-16/h3-6,8-9,11H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide?
2-(2-cyanophenoxy)-N-(1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 284.32 g/mol, XLogP of 2.35, 5 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-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 62904626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).