N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide

C17H13FN4O2 — CID 135490776

IUPACN-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cn[nH]c1-c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C17H13FN4O2/c18-13-7-5-11(6-8-13)16-12(9-19-21-16)10-20-22-17(24)14-3-1-2-4-15(14)23/h1-10,23H,(H,19,21)(H,22,24)/b20-10+
InChIKeyFLGOOMQVGBPKHE-KEBDBYFISA-N
MW324.32 g/mol
LogP2.69
Rot. Bonds4

About N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide

N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 135490776) has the molecular formula C17H13FN4O2 and a molecular weight of 324.32 g/mol. Its IUPAC name is N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
PubChem CID135490776
Molecular FormulaC17H13FN4O2
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC NameN-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(N/N=C/c1cn[nH]c1-c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C17H13FN4O2/c18-13-7-5-11(6-8-13)16-12(9-19-21-16)10-20-22-17(24)14-3-1-2-4-15(14)23/h1-10,23H,(H,19,21)(H,22,24)/b20-10+
InChIKeyFLGOOMQVGBPKHE-KEBDBYFISA-N
XLogP2.69
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide (CID 135490776) is N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide is O=C(N/N=C/c1cn[nH]c1-c1ccc(F)cc1)c1ccccc1O.
What is the InChIKey of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is FLGOOMQVGBPKHE-KEBDBYFISA-N. The full InChI is InChI=1S/C17H13FN4O2/c18-13-7-5-11(6-8-13)16-12(9-19-21-16)10-20-22-17(24)14-3-1-2-4-15(14)23/h1-10,23H,(H,19,21)(H,22,24)/b20-10+.
What are the key properties of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide?
N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 324.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 135490776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).