2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid

C11H11N3O4 — CID 19482452

IUPAC2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)NCc1ccco1
InChIInChI=1S/C11H11N3O4/c15-10(16)7-14-9(3-4-13-14)11(17)12-6-8-2-1-5-18-8/h1-5H,6-7H2,(H,12,17)(H,15,16)
InChIKeyZNYWYTNVKQAZCO-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.49
Rot. Bonds5

About 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid

2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19482452) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19482452
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1C(=O)NCc1ccco1
InChIInChI=1S/C11H11N3O4/c15-10(16)7-14-9(3-4-13-14)11(17)12-6-8-2-1-5-18-8/h1-5H,6-7H2,(H,12,17)(H,15,16)
InChIKeyZNYWYTNVKQAZCO-UHFFFAOYSA-N
XLogP0.49
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19490099
2-[4-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621941
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
N-(furan-2-ylmethyl)-2-indolizin-3-ylpyrazole-3-carboxamide
CID 97447225
N-(furan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 9034607
N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1252016
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1087305
4-(furan-2-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 53270691
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
3-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202614
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19482452) is 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is ZNYWYTNVKQAZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c15-10(16)7-14-9(3-4-13-14)11(17)12-6-8-2-1-5-18-8/h1-5H,6-7H2,(H,12,17)(H,15,16).
What are the key properties of 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 249.23 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19482452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).