ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate

C7H10N2O3 — CID 83441148

IUPACethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)C(O)c1cn[nH]c1
InChIInChI=1S/C7H10N2O3/c1-2-12-7(11)6(10)5-3-8-9-4-5/h3-4,6,10H,2H2,1H3,(H,8,9)
InChIKeyLIYQXGOZIFGYMC-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.01
Rot. Bonds3

About ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate

ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate (PubChem CID 83441148) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate
PubChem CID83441148
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate
SMILESCCOC(=O)C(O)c1cn[nH]c1
InChIInChI=1S/C7H10N2O3/c1-2-12-7(11)6(10)5-3-8-9-4-5/h3-4,6,10H,2H2,1H3,(H,8,9)
InChIKeyLIYQXGOZIFGYMC-UHFFFAOYSA-N
XLogP0.01
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate (CID 83441148) is ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate is CCOC(=O)C(O)c1cn[nH]c1.
What is the InChIKey of ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate?
The InChIKey is LIYQXGOZIFGYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-12-7(11)6(10)5-3-8-9-4-5/h3-4,6,10H,2H2,1H3,(H,8,9).
What are the key properties of ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate?
ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 83441148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).