3-methoxy-1H-pyrazole-5-carboxylic acid

C5H6N2O3 — CID 55282853

IUPAC3-methoxy-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H6N2O3/c1-10-4-2-3(5(8)9)6-7-4/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyAGPOKZYHRLRMCH-UHFFFAOYSA-N
MW142.11 g/mol
LogP0.12
Rot. Bonds2

About 3-methoxy-1H-pyrazole-5-carboxylic acid

3-methoxy-1H-pyrazole-5-carboxylic acid (PubChem CID 55282853) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 3-methoxy-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-1H-pyrazole-5-carboxylic acid
PubChem CID55282853
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name3-methoxy-1H-pyrazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C5H6N2O3/c1-10-4-2-3(5(8)9)6-7-4/h2H,1H3,(H,6,7)(H,8,9)
InChIKeyAGPOKZYHRLRMCH-UHFFFAOYSA-N
XLogP0.12
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-methoxy-1H-pyrazole-5-carboxylic acid (CID 55282853) is 3-methoxy-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-methoxy-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-methoxy-1H-pyrazole-5-carboxylic acid is COc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-methoxy-1H-pyrazole-5-carboxylic acid?
The InChIKey is AGPOKZYHRLRMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c1-10-4-2-3(5(8)9)6-7-4/h2H,1H3,(H,6,7)(H,8,9).
What are the key properties of 3-methoxy-1H-pyrazole-5-carboxylic acid?
3-methoxy-1H-pyrazole-5-carboxylic acid has a molecular weight of 142.11 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 55282853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).