2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide

C15H13N5O2 — CID 71789777

IUPAC2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C15H13N5O2/c21-14(11-22-13-5-2-1-3-6-13)19-12-9-16-15(17-10-12)20-8-4-7-18-20/h1-10H,11H2,(H,19,21)
InChIKeyYXFVYXSOXMHUIO-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.68
Rot. Bonds5

About 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide

2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide (PubChem CID 71789777) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
PubChem CID71789777
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
SMILESO=C(COc1ccccc1)Nc1cnc(-n2cccn2)nc1
InChIInChI=1S/C15H13N5O2/c21-14(11-22-13-5-2-1-3-6-13)19-12-9-16-15(17-10-12)20-8-4-7-18-20/h1-10H,11H2,(H,19,21)
InChIKeyYXFVYXSOXMHUIO-UHFFFAOYSA-N
XLogP1.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide (CID 71789777) is 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide is O=C(COc1ccccc1)Nc1cnc(-n2cccn2)nc1.
What is the InChIKey of 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is YXFVYXSOXMHUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-14(11-22-13-5-2-1-3-6-13)19-12-9-16-15(17-10-12)20-8-4-7-18-20/h1-10H,11H2,(H,19,21).
What are the key properties of 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide?
2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 295.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 71789777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).