1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid

C10H10N2O3 — CID 43141385

IUPAC1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(C)cc2C(=O)O)o1
InChIInChI=1S/C10H10N2O3/c1-6-3-4-8(15-6)9-7(10(13)14)5-12(2)11-9/h3-5H,1-2H3,(H,13,14)
InChIKeyYXFKJEJXEHTSRI-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.69
Rot. Bonds2

About 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid

1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid (PubChem CID 43141385) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
PubChem CID43141385
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(C)cc2C(=O)O)o1
InChIInChI=1S/C10H10N2O3/c1-6-3-4-8(15-6)9-7(10(13)14)5-12(2)11-9/h3-5H,1-2H3,(H,13,14)
InChIKeyYXFKJEJXEHTSRI-UHFFFAOYSA-N
XLogP1.69
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid (CID 43141385) is 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid is Cc1ccc(-c2nn(C)cc2C(=O)O)o1.
What is the InChIKey of 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is YXFKJEJXEHTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-3-4-8(15-6)9-7(10(13)14)5-12(2)11-9/h3-5H,1-2H3,(H,13,14).
What are the key properties of 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid?
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 43141385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).