2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid

C11H8FN3O3 — CID 64783087

IUPAC2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid
SMILESNC(=O)c1cnn(-c2c(F)cccc2C(=O)O)c1
InChIInChI=1S/C11H8FN3O3/c12-8-3-1-2-7(11(17)18)9(8)15-5-6(4-14-15)10(13)16/h1-5H,(H2,13,16)(H,17,18)
InChIKeyGWYDOXFCAGMQNQ-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.81
Rot. Bonds3

About 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid

2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid (PubChem CID 64783087) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid
PubChem CID64783087
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid
SMILESNC(=O)c1cnn(-c2c(F)cccc2C(=O)O)c1
InChIInChI=1S/C11H8FN3O3/c12-8-3-1-2-7(11(17)18)9(8)15-5-6(4-14-15)10(13)16/h1-5H,(H2,13,16)(H,17,18)
InChIKeyGWYDOXFCAGMQNQ-UHFFFAOYSA-N
XLogP0.81
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid?
The IUPAC name of 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid (CID 64783087) is 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid?
The canonical SMILES for 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid is NC(=O)c1cnn(-c2c(F)cccc2C(=O)O)c1.
What is the InChIKey of 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid?
The InChIKey is GWYDOXFCAGMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-8-3-1-2-7(11(17)18)9(8)15-5-6(4-14-15)10(13)16/h1-5H,(H2,13,16)(H,17,18).
What are the key properties of 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid?
2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid has a molecular weight of 249.20 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpyrazol-1-yl)-3-fluorobenzoic acid is sourced from PubChem (CID 64783087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).