3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid

C7H8N2O5 — CID 11333116

IUPAC3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(OCC(=O)O)cc1C(=O)O
InChIInChI=1S/C7H8N2O5/c1-9-4(7(12)13)2-5(8-9)14-3-6(10)11/h2H,3H2,1H3,(H,10,11)(H,12,13)
InChIKeyLGIYXINYTCYCLX-UHFFFAOYSA-N
MW200.15 g/mol
LogP-0.42
Rot. Bonds4

About 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid

3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid (PubChem CID 11333116) has the molecular formula C7H8N2O5 and a molecular weight of 200.15 g/mol. Its IUPAC name is 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid
PubChem CID11333116
Molecular FormulaC7H8N2O5
Molecular Weight200.15 g/mol
Exact Mass200.04
IUPAC Name3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid
SMILESCn1nc(OCC(=O)O)cc1C(=O)O
InChIInChI=1S/C7H8N2O5/c1-9-4(7(12)13)2-5(8-9)14-3-6(10)11/h2H,3H2,1H3,(H,10,11)(H,12,13)
InChIKeyLGIYXINYTCYCLX-UHFFFAOYSA-N
XLogP-0.42
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid (CID 11333116) is 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid is Cn1nc(OCC(=O)O)cc1C(=O)O.
What is the InChIKey of 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is LGIYXINYTCYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O5/c1-9-4(7(12)13)2-5(8-9)14-3-6(10)11/h2H,3H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid?
3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 200.15 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxymethoxy)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 11333116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).