5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid

C12H14N2O3 — CID 55050324

IUPAC5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid
SMILESCCc1c(C)nn(-c2ccc(C(=O)O)o2)c1C
InChIInChI=1S/C12H14N2O3/c1-4-9-7(2)13-14(8(9)3)11-6-5-10(17-11)12(15)16/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyZSAVUUZANRDETR-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.34
Rot. Bonds3

About 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid

5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid (PubChem CID 55050324) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid
PubChem CID55050324
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid
SMILESCCc1c(C)nn(-c2ccc(C(=O)O)o2)c1C
InChIInChI=1S/C12H14N2O3/c1-4-9-7(2)13-14(8(9)3)11-6-5-10(17-11)12(15)16/h5-6H,4H2,1-3H3,(H,15,16)
InChIKeyZSAVUUZANRDETR-UHFFFAOYSA-N
XLogP2.34
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid (CID 55050324) is 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid is CCc1c(C)nn(-c2ccc(C(=O)O)o2)c1C.
What is the InChIKey of 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid?
The InChIKey is ZSAVUUZANRDETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-4-9-7(2)13-14(8(9)3)11-6-5-10(17-11)12(15)16/h5-6H,4H2,1-3H3,(H,15,16).
What are the key properties of 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid?
5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-3,5-dimethylpyrazol-1-yl)furan-2-carboxylic acid is sourced from PubChem (CID 55050324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).