1-(methoxymethyl)pyrazole-3-carboxylic acid

C6H8N2O3 — CID 7017589

IUPAC1-(methoxymethyl)pyrazole-3-carboxylic acid
SMILESCOCn1ccc(C(=O)O)n1
InChIInChI=1S/C6H8N2O3/c1-11-4-8-3-2-5(7-8)6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChIKeyIAXSBZCOEZTYDX-UHFFFAOYSA-N
MW156.14 g/mol
LogP0.19
Rot. Bonds3

About 1-(methoxymethyl)pyrazole-3-carboxylic acid

1-(methoxymethyl)pyrazole-3-carboxylic acid (PubChem CID 7017589) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-(methoxymethyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(methoxymethyl)pyrazole-3-carboxylic acid
PubChem CID7017589
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1-(methoxymethyl)pyrazole-3-carboxylic acid
SMILESCOCn1ccc(C(=O)O)n1
InChIInChI=1S/C6H8N2O3/c1-11-4-8-3-2-5(7-8)6(9)10/h2-3H,4H2,1H3,(H,9,10)
InChIKeyIAXSBZCOEZTYDX-UHFFFAOYSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(methoxymethyl)pyrazole-3-carboxylic acid (CID 7017589) is 1-(methoxymethyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(methoxymethyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(methoxymethyl)pyrazole-3-carboxylic acid is COCn1ccc(C(=O)O)n1.
What is the InChIKey of 1-(methoxymethyl)pyrazole-3-carboxylic acid?
The InChIKey is IAXSBZCOEZTYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-11-4-8-3-2-5(7-8)6(9)10/h2-3H,4H2,1H3,(H,9,10).
What are the key properties of 1-(methoxymethyl)pyrazole-3-carboxylic acid?
1-(methoxymethyl)pyrazole-3-carboxylic acid has a molecular weight of 156.14 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 7017589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).