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

C15H12N2O3 — CID 3471858

IUPAC3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)o1
InChIInChI=1S/C15H12N2O3/c1-10-7-8-13(20-10)14-12(15(18)19)9-17(16-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKeyILABVOISJHMHBA-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.14
Rot. Bonds3

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

3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid (PubChem CID 3471858) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid
PubChem CID3471858
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)o1
InChIInChI=1S/C15H12N2O3/c1-10-7-8-13(20-10)14-12(15(18)19)9-17(16-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKeyILABVOISJHMHBA-UHFFFAOYSA-N
XLogP3.14
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid (CID 3471858) is 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is ILABVOISJHMHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-10-7-8-13(20-10)14-12(15(18)19)9-17(16-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19).
What are the key properties of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid?
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 3471858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).