1-(2-methoxyethyl)pyrazole-4-carboxylic acid

C7H10N2O3 — CID 43565279

IUPAC1-(2-methoxyethyl)pyrazole-4-carboxylic acid
SMILESCOCCn1cc(C(=O)O)cn1
InChIInChI=1S/C7H10N2O3/c1-12-3-2-9-5-6(4-8-9)7(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyBMUGOSJLZCHJKW-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.23
Rot. Bonds4

About 1-(2-methoxyethyl)pyrazole-4-carboxylic acid

1-(2-methoxyethyl)pyrazole-4-carboxylic acid (PubChem CID 43565279) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2-methoxyethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)pyrazole-4-carboxylic acid
PubChem CID43565279
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(2-methoxyethyl)pyrazole-4-carboxylic acid
SMILESCOCCn1cc(C(=O)O)cn1
InChIInChI=1S/C7H10N2O3/c1-12-3-2-9-5-6(4-8-9)7(10)11/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyBMUGOSJLZCHJKW-UHFFFAOYSA-N
XLogP0.23
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)pyrazole-4-carboxylic acid (CID 43565279) is 1-(2-methoxyethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)pyrazole-4-carboxylic acid is COCCn1cc(C(=O)O)cn1.
What is the InChIKey of 1-(2-methoxyethyl)pyrazole-4-carboxylic acid?
The InChIKey is BMUGOSJLZCHJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-12-3-2-9-5-6(4-8-9)7(10)11/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 1-(2-methoxyethyl)pyrazole-4-carboxylic acid?
1-(2-methoxyethyl)pyrazole-4-carboxylic acid has a molecular weight of 170.17 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43565279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).