3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol

C17H15F2N3O3 — CID 87276151

IUPAC3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol
SMILESCc1nn(-c2ccc(O)cc2F)c(-c2c(C)oc(F)c2C)c1/C=N/O
InChIInChI=1S/C17H15F2N3O3/c1-8-15(10(3)25-17(8)19)16-12(7-20-24)9(2)21-22(16)14-5-4-11(23)6-13(14)18/h4-7,23-24H,1-3H3/b20-7+
InChIKeyPDHANVJSLFXWHT-IFRROFPPSA-N
MW347.32 g/mol
LogP3.85
Rot. Bonds3

About 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol

3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol (PubChem CID 87276151) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol
PubChem CID87276151
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Name3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol
SMILESCc1nn(-c2ccc(O)cc2F)c(-c2c(C)oc(F)c2C)c1/C=N/O
InChIInChI=1S/C17H15F2N3O3/c1-8-15(10(3)25-17(8)19)16-12(7-20-24)9(2)21-22(16)14-5-4-11(23)6-13(14)18/h4-7,23-24H,1-3H3/b20-7+
InChIKeyPDHANVJSLFXWHT-IFRROFPPSA-N
XLogP3.85
TPSA83.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol?
The IUPAC name of 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol (CID 87276151) is 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol?
The canonical SMILES for 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol is Cc1nn(-c2ccc(O)cc2F)c(-c2c(C)oc(F)c2C)c1/C=N/O.
What is the InChIKey of 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol?
The InChIKey is PDHANVJSLFXWHT-IFRROFPPSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c1-8-15(10(3)25-17(8)19)16-12(7-20-24)9(2)21-22(16)14-5-4-11(23)6-13(14)18/h4-7,23-24H,1-3H3/b20-7+.
What are the key properties of 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol?
3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol has a molecular weight of 347.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[5-(5-fluoro-2,4-dimethylfuran-3-yl)-4-[(E)-hydroxyiminomethyl]-3-methylpyrazol-1-yl]phenol is sourced from PubChem (CID 87276151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).