N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide

C13H11N5O2 — CID 11380183

IUPACN-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-n2cccn2)nc(-c2ccco2)n1
InChIInChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19)
InChIKeyYBZHQFAVAQZLFB-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.88
Rot. Bonds3

About N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide

N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide (PubChem CID 11380183) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
PubChem CID11380183
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC NameN-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-n2cccn2)nc(-c2ccco2)n1
InChIInChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19)
InChIKeyYBZHQFAVAQZLFB-UHFFFAOYSA-N
XLogP1.88
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide (CID 11380183) is N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-n2cccn2)nc(-c2ccco2)n1.
What is the InChIKey of N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide?
The InChIKey is YBZHQFAVAQZLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-9(19)15-11-8-12(18-6-3-5-14-18)17-13(16-11)10-4-2-7-20-10/h2-8H,1H3,(H,15,16,17,19).
What are the key properties of N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide?
N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 11380183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).