2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone

C18H14F2N2O2 — CID 58083578

IUPAC2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone
SMILESO=C(Cc1c(F)cccc1F)c1ccn(Cc2ccccc2O)n1
InChIInChI=1S/C18H14F2N2O2/c19-14-5-3-6-15(20)13(14)10-18(24)16-8-9-22(21-16)11-12-4-1-2-7-17(12)23/h1-9,23H,10-11H2
InChIKeyMNYDGRZVLZXYPX-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.34
Rot. Bonds5

About 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone

2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone (PubChem CID 58083578) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone
PubChem CID58083578
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone
SMILESO=C(Cc1c(F)cccc1F)c1ccn(Cc2ccccc2O)n1
InChIInChI=1S/C18H14F2N2O2/c19-14-5-3-6-15(20)13(14)10-18(24)16-8-9-22(21-16)11-12-4-1-2-7-17(12)23/h1-9,23H,10-11H2
InChIKeyMNYDGRZVLZXYPX-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone 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 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone (CID 58083578) is 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone is O=C(Cc1c(F)cccc1F)c1ccn(Cc2ccccc2O)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone?
The InChIKey is MNYDGRZVLZXYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-14-5-3-6-15(20)13(14)10-18(24)16-8-9-22(21-16)11-12-4-1-2-7-17(12)23/h1-9,23H,10-11H2.
What are the key properties of 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone?
2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone has a molecular weight of 328.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 58083578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).