methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate

C7H10N2O3 — CID 103130210

IUPACmethyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)C(O)c1ccn(C)n1
InChIInChI=1S/C7H10N2O3/c1-9-4-3-5(8-9)6(10)7(11)12-2/h3-4,6,10H,1-2H3
InChIKeyOWXDRQUUOZIJTJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.37
Rot. Bonds2

About methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate

methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate (PubChem CID 103130210) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate
PubChem CID103130210
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)C(O)c1ccn(C)n1
InChIInChI=1S/C7H10N2O3/c1-9-4-3-5(8-9)6(10)7(11)12-2/h3-4,6,10H,1-2H3
InChIKeyOWXDRQUUOZIJTJ-UHFFFAOYSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate (CID 103130210) is methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate is COC(=O)C(O)c1ccn(C)n1.
What is the InChIKey of methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate?
The InChIKey is OWXDRQUUOZIJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9-4-3-5(8-9)6(10)7(11)12-2/h3-4,6,10H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate?
methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate has a molecular weight of 170.17 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(1-methylpyrazol-3-yl)acetate is sourced from PubChem (CID 103130210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).