2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid

C10H16N2O3 — CID 65369258

IUPAC2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCCOCn1nc(C)c(CC(=O)O)c1C
InChIInChI=1S/C10H16N2O3/c1-4-15-6-12-8(3)9(5-10(13)14)7(2)11-12/h4-6H2,1-3H3,(H,13,14)
InChIKeyYRFNSXQPZLUJFM-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.12
Rot. Bonds5

About 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 65369258) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID65369258
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCCOCn1nc(C)c(CC(=O)O)c1C
InChIInChI=1S/C10H16N2O3/c1-4-15-6-12-8(3)9(5-10(13)14)7(2)11-12/h4-6H2,1-3H3,(H,13,14)
InChIKeyYRFNSXQPZLUJFM-UHFFFAOYSA-N
XLogP1.12
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid (CID 65369258) is 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid is CCOCn1nc(C)c(CC(=O)O)c1C.
What is the InChIKey of 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is YRFNSXQPZLUJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-15-6-12-8(3)9(5-10(13)14)7(2)11-12/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 212.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 65369258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).