2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide

C16H18N4O2 — CID 47026964

IUPAC2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1cccn1)NC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C16H18N4O2/c1-12(11-20-9-3-8-18-20)19-16(21)13(2)22-15-6-4-14(10-17)5-7-15/h3-9,12-13H,11H2,1-2H3,(H,19,21)
InChIKeyVSZXFEMAIRJAHA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.73
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide

2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide (PubChem CID 47026964) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
PubChem CID47026964
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1cccn1)NC(=O)C(C)Oc1ccc(C#N)cc1
InChIInChI=1S/C16H18N4O2/c1-12(11-20-9-3-8-18-20)19-16(21)13(2)22-15-6-4-14(10-17)5-7-15/h3-9,12-13H,11H2,1-2H3,(H,19,21)
InChIKeyVSZXFEMAIRJAHA-UHFFFAOYSA-N
XLogP1.73
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide (CID 47026964) is 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide is CC(Cn1cccn1)NC(=O)C(C)Oc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The InChIKey is VSZXFEMAIRJAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12(11-20-9-3-8-18-20)19-16(21)13(2)22-15-6-4-14(10-17)5-7-15/h3-9,12-13H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide has a molecular weight of 298.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 47026964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).