4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C17H13FN4O2 — CID 24864078

IUPAC4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)
InChIKeyZMWYSLJBNJUCRK-UHFFFAOYSA-N
MW324.32 g/mol
LogP3.05
Rot. Bonds4

About 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 24864078) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID24864078
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)
InChIKeyZMWYSLJBNJUCRK-UHFFFAOYSA-N
XLogP3.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 24864078) is 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZMWYSLJBNJUCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 324.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24864078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).