1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid

C9H8N2O4 — CID 117232486

IUPAC1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid
SMILESCOc1cnn(-c2ccco2)c1C(=O)O
InChIInChI=1S/C9H8N2O4/c1-14-6-5-10-11(8(6)9(12)13)7-3-2-4-15-7/h2-5H,1H3,(H,12,13)
InChIKeyHOVNQUJMIQKOFA-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.17
Rot. Bonds3

About 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid

1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid (PubChem CID 117232486) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid
PubChem CID117232486
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid
SMILESCOc1cnn(-c2ccco2)c1C(=O)O
InChIInChI=1S/C9H8N2O4/c1-14-6-5-10-11(8(6)9(12)13)7-3-2-4-15-7/h2-5H,1H3,(H,12,13)
InChIKeyHOVNQUJMIQKOFA-UHFFFAOYSA-N
XLogP1.17
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid?
The IUPAC name of 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid (CID 117232486) is 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid?
The canonical SMILES for 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid is COc1cnn(-c2ccco2)c1C(=O)O.
What is the InChIKey of 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid?
The InChIKey is HOVNQUJMIQKOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c1-14-6-5-10-11(8(6)9(12)13)7-3-2-4-15-7/h2-5H,1H3,(H,12,13).
What are the key properties of 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid?
1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-methoxypyrazole-5-carboxylic acid is sourced from PubChem (CID 117232486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).