3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid

C14H8FN3O6 — CID 90955262

IUPAC3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid
SMILESO=C(O)c1cc2c(o1)c(NC(=O)c1ccccc1F)nn2C(=O)O
InChIInChI=1S/C14H8FN3O6/c15-7-4-2-1-3-6(7)12(19)16-11-10-8(18(17-11)14(22)23)5-9(24-10)13(20)21/h1-5H,(H,20,21)(H,22,23)(H,16,17,19)
InChIKeyDMENLKOTSQMOOY-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.24
Rot. Bonds3

About 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid

3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid (PubChem CID 90955262) has the molecular formula C14H8FN3O6 and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid
PubChem CID90955262
Molecular FormulaC14H8FN3O6
Molecular Weight333.23 g/mol
Exact Mass333.04
IUPAC Name3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid
SMILESO=C(O)c1cc2c(o1)c(NC(=O)c1ccccc1F)nn2C(=O)O
InChIInChI=1S/C14H8FN3O6/c15-7-4-2-1-3-6(7)12(19)16-11-10-8(18(17-11)14(22)23)5-9(24-10)13(20)21/h1-5H,(H,20,21)(H,22,23)(H,16,17,19)
InChIKeyDMENLKOTSQMOOY-UHFFFAOYSA-N
XLogP2.24
TPSA134.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid (CID 90955262) is 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid is O=C(O)c1cc2c(o1)c(NC(=O)c1ccccc1F)nn2C(=O)O.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid?
The InChIKey is DMENLKOTSQMOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O6/c15-7-4-2-1-3-6(7)12(19)16-11-10-8(18(17-11)14(22)23)5-9(24-10)13(20)21/h1-5H,(H,20,21)(H,22,23)(H,16,17,19).
What are the key properties of 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid?
3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid has a molecular weight of 333.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid is sourced from PubChem (CID 90955262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).