4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid

C11H8FN3O3 — CID 153322349

IUPAC4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid
SMILESNC(=O)c1cnn(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O3/c12-7-3-1-6(2-4-7)9-8(10(13)16)5-14-15(9)11(17)18/h1-5H,(H2,13,16)(H,17,18)
InChIKeyPEHXIDJEPLIJPH-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.31
Rot. Bonds2

About 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid

4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid (PubChem CID 153322349) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid
PubChem CID153322349
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid
SMILESNC(=O)c1cnn(C(=O)O)c1-c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O3/c12-7-3-1-6(2-4-7)9-8(10(13)16)5-14-15(9)11(17)18/h1-5H,(H2,13,16)(H,17,18)
InChIKeyPEHXIDJEPLIJPH-UHFFFAOYSA-N
XLogP1.31
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid?
The IUPAC name of 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid (CID 153322349) is 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid?
The canonical SMILES for 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid is NC(=O)c1cnn(C(=O)O)c1-c1ccc(F)cc1.
What is the InChIKey of 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid?
The InChIKey is PEHXIDJEPLIJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-7-3-1-6(2-4-7)9-8(10(13)16)5-14-15(9)11(17)18/h1-5H,(H2,13,16)(H,17,18).
What are the key properties of 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid?
4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid has a molecular weight of 249.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-5-(4-fluorophenyl)pyrazole-1-carboxylic acid is sourced from PubChem (CID 153322349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).