2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide

C17H13F2N3O2 — CID 59547873

IUPAC2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccccc2O)n1)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3O2/c18-12-5-3-6-13(19)16(12)17(24)20-15-8-9-22(21-15)10-11-4-1-2-7-14(11)23/h1-9,23H,10H2,(H,20,21,24)
InChIKeyLUCCVRBUGJFTQK-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.17
Rot. Bonds4

About 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide

2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 59547873) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID59547873
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccccc2O)n1)c1c(F)cccc1F
InChIInChI=1S/C17H13F2N3O2/c18-12-5-3-6-13(19)16(12)17(24)20-15-8-9-22(21-15)10-11-4-1-2-7-14(11)23/h1-9,23H,10H2,(H,20,21,24)
InChIKeyLUCCVRBUGJFTQK-UHFFFAOYSA-N
XLogP3.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide (CID 59547873) is 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccccc2O)n1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is LUCCVRBUGJFTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c18-12-5-3-6-13(19)16(12)17(24)20-15-8-9-22(21-15)10-11-4-1-2-7-14(11)23/h1-9,23H,10H2,(H,20,21,24).
What are the key properties of 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide?
2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 329.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-[(2-hydroxyphenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 59547873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).