5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid

C17H12FN3O3 — CID 58659289

IUPAC5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)cnn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O3/c18-12-8-6-11(7-9-12)16(22)20-15-14(17(23)24)10-19-21(15)13-4-2-1-3-5-13/h1-10H,(H,20,22)(H,23,24)
InChIKeyFQWWRUWFFBQQOL-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.96
Rot. Bonds4

About 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid

5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid (PubChem CID 58659289) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid
PubChem CID58659289
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid
SMILESO=C(Nc1c(C(=O)O)cnn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O3/c18-12-8-6-11(7-9-12)16(22)20-15-14(17(23)24)10-19-21(15)13-4-2-1-3-5-13/h1-10H,(H,20,22)(H,23,24)
InChIKeyFQWWRUWFFBQQOL-UHFFFAOYSA-N
XLogP2.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid (CID 58659289) is 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid is O=C(Nc1c(C(=O)O)cnn1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid?
The InChIKey is FQWWRUWFFBQQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-12-8-6-11(7-9-12)16(22)20-15-14(17(23)24)10-19-21(15)13-4-2-1-3-5-13/h1-10H,(H,20,22)(H,23,24).
What are the key properties of 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid?
5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid has a molecular weight of 325.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 58659289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).