4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid

C10H10N2O4 — CID 117232488

IUPAC4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid
SMILESCOc1cnn(-c2ccc(C)o2)c1C(=O)O
InChIInChI=1S/C10H10N2O4/c1-6-3-4-8(16-6)12-9(10(13)14)7(15-2)5-11-12/h3-5H,1-2H3,(H,13,14)
InChIKeyKMYCDHVIHSFIHP-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.48
Rot. Bonds3

About 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid

4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid (PubChem CID 117232488) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid
PubChem CID117232488
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid
SMILESCOc1cnn(-c2ccc(C)o2)c1C(=O)O
InChIInChI=1S/C10H10N2O4/c1-6-3-4-8(16-6)12-9(10(13)14)7(15-2)5-11-12/h3-5H,1-2H3,(H,13,14)
InChIKeyKMYCDHVIHSFIHP-UHFFFAOYSA-N
XLogP1.48
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid (CID 117232488) is 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid is COc1cnn(-c2ccc(C)o2)c1C(=O)O.
What is the InChIKey of 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid?
The InChIKey is KMYCDHVIHSFIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-6-3-4-8(16-6)12-9(10(13)14)7(15-2)5-11-12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid?
4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methylfuran-2-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 117232488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).