5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid

C11H12N2O3 — CID 658387

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc(C)n(Cc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C11H12N2O3/c1-7-5-8(2)13(12-7)6-9-3-4-10(16-9)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyBPVDCRCAORFYHG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.84
Rot. Bonds3

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid

5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 658387) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
PubChem CID658387
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
SMILESCc1cc(C)n(Cc2ccc(C(=O)O)o2)n1
InChIInChI=1S/C11H12N2O3/c1-7-5-8(2)13(12-7)6-9-3-4-10(16-9)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyBPVDCRCAORFYHG-UHFFFAOYSA-N
XLogP1.84
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid (CID 658387) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid is Cc1cc(C)n(Cc2ccc(C(=O)O)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is BPVDCRCAORFYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7-5-8(2)13(12-7)6-9-3-4-10(16-9)11(14)15/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid?
5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 658387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).