3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid

C10H10N2O3 — CID 64592995

IUPAC3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)[nH]n2)c(C)o1
InChIInChI=1S/C10H10N2O3/c1-5-3-7(6(2)15-5)8-4-9(10(13)14)12-11-8/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyKDRPOYGICCFSFI-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.98
Rot. Bonds2

About 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid

3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 64592995) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID64592995
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)[nH]n2)c(C)o1
InChIInChI=1S/C10H10N2O3/c1-5-3-7(6(2)15-5)8-4-9(10(13)14)12-11-8/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyKDRPOYGICCFSFI-UHFFFAOYSA-N
XLogP1.98
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid (CID 64592995) is 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid is Cc1cc(-c2cc(C(=O)O)[nH]n2)c(C)o1.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is KDRPOYGICCFSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5-3-7(6(2)15-5)8-4-9(10(13)14)12-11-8/h3-4H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64592995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).