3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide

C11H10FN3O3 — CID 126579687

IUPAC3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide
SMILESNC(=O)c1cccc(F)c1COc1ccn(O)n1
InChIInChI=1S/C11H10FN3O3/c12-9-3-1-2-7(11(13)16)8(9)6-18-10-4-5-15(17)14-10/h1-5,17H,6H2,(H2,13,16)
InChIKeyGGESGQNLPUUUOM-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.94
Rot. Bonds4

About 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide

3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide (PubChem CID 126579687) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide
PubChem CID126579687
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide
SMILESNC(=O)c1cccc(F)c1COc1ccn(O)n1
InChIInChI=1S/C11H10FN3O3/c12-9-3-1-2-7(11(13)16)8(9)6-18-10-4-5-15(17)14-10/h1-5,17H,6H2,(H2,13,16)
InChIKeyGGESGQNLPUUUOM-UHFFFAOYSA-N
XLogP0.94
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-prop-1-ynylbenzamide
CID 126579654
ethyl 3-fluoro-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 159383303
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoic acid
CID 126579823
methyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoate
CID 126575695
3-(difluoromethoxy)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride
CID 126579877
N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylsulfanylbenzamide
CID 126579759
ethyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propylbenzoate
CID 126579222
propyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-iodobenzoate
CID 126579275
3-ethynyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride
CID 126579405
ethyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethylsulfanyl)benzoate
CID 126579574
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propan-2-yloxybenzoic acid
CID 126579361
propyl 3-(fluoromethylsulfanyl)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate
CID 126579572

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide?
The IUPAC name of 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide (CID 126579687) is 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide.
What is the SMILES notation for 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide?
The canonical SMILES for 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide is NC(=O)c1cccc(F)c1COc1ccn(O)n1.
What is the InChIKey of 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide?
The InChIKey is GGESGQNLPUUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c12-9-3-1-2-7(11(13)16)8(9)6-18-10-4-5-15(17)14-10/h1-5,17H,6H2,(H2,13,16).
What are the key properties of 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide?
3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide has a molecular weight of 251.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzamide is sourced from PubChem (CID 126579687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).