(3-acetyloxy-1H-pyrazol-5-yl) acetate

C7H8N2O4 — CID 68983199

IUPAC(3-acetyloxy-1H-pyrazol-5-yl) acetate
SMILESCC(=O)Oc1cc(OC(C)=O)[nH]n1
InChIInChI=1S/C7H8N2O4/c1-4(10)12-6-3-7(9-8-6)13-5(2)11/h3H,1-2H3,(H,8,9)
InChIKeyJZKOYGVDWGDENF-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.26
Rot. Bonds2

About (3-acetyloxy-1H-pyrazol-5-yl) acetate

(3-acetyloxy-1H-pyrazol-5-yl) acetate (PubChem CID 68983199) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is (3-acetyloxy-1H-pyrazol-5-yl) acetate.

Molecular Properties

Compound Name(3-acetyloxy-1H-pyrazol-5-yl) acetate
PubChem CID68983199
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name(3-acetyloxy-1H-pyrazol-5-yl) acetate
SMILESCC(=O)Oc1cc(OC(C)=O)[nH]n1
InChIInChI=1S/C7H8N2O4/c1-4(10)12-6-3-7(9-8-6)13-5(2)11/h3H,1-2H3,(H,8,9)
InChIKeyJZKOYGVDWGDENF-UHFFFAOYSA-N
XLogP0.26
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-1H-pyrazol-5-yl) acetate?
The IUPAC name of (3-acetyloxy-1H-pyrazol-5-yl) acetate (CID 68983199) is (3-acetyloxy-1H-pyrazol-5-yl) acetate.
What is the SMILES notation for (3-acetyloxy-1H-pyrazol-5-yl) acetate?
The canonical SMILES for (3-acetyloxy-1H-pyrazol-5-yl) acetate is CC(=O)Oc1cc(OC(C)=O)[nH]n1.
What is the InChIKey of (3-acetyloxy-1H-pyrazol-5-yl) acetate?
The InChIKey is JZKOYGVDWGDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-4(10)12-6-3-7(9-8-6)13-5(2)11/h3H,1-2H3,(H,8,9).
What are the key properties of (3-acetyloxy-1H-pyrazol-5-yl) acetate?
(3-acetyloxy-1H-pyrazol-5-yl) acetate has a molecular weight of 184.15 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-1H-pyrazol-5-yl) acetate is sourced from PubChem (CID 68983199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).