5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid

C10H10N2O3 — CID 97034386

IUPAC5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)o2)n(C)n1
InChIInChI=1S/C10H10N2O3/c1-6-5-7(12(2)11-6)8-3-4-9(15-8)10(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyJAZNGEDSXHLHTD-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.69
Rot. Bonds2

About 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid

5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid (PubChem CID 97034386) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
PubChem CID97034386
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)o2)n(C)n1
InChIInChI=1S/C10H10N2O3/c1-6-5-7(12(2)11-6)8-3-4-9(15-8)10(13)14/h3-5H,1-2H3,(H,13,14)
InChIKeyJAZNGEDSXHLHTD-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 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid (CID 97034386) is 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid is Cc1cc(-c2ccc(C(=O)O)o2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid?
The InChIKey is JAZNGEDSXHLHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6-5-7(12(2)11-6)8-3-4-9(15-8)10(13)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid?
5-(2,5-dimethylpyrazol-3-yl)furan-2-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 5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 97034386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).