3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole

C11H10FN3O5 — CID 126579178

IUPAC3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole
SMILESO=[N+]([O-])c1cccc(OCF)c1COc1ccn(O)n1
InChIInChI=1S/C11H10FN3O5/c12-7-20-10-3-1-2-9(15(17)18)8(10)6-19-11-4-5-14(16)13-11/h1-5,16H,6-7H2
InChIKeyZWAFFOKSFQAMPR-UHFFFAOYSA-N
MW283.22 g/mol
LogP1.91
Rot. Bonds6

About 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole

3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole (PubChem CID 126579178) has the molecular formula C11H10FN3O5 and a molecular weight of 283.22 g/mol. Its IUPAC name is 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole.

Molecular Properties

Compound Name3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole
PubChem CID126579178
Molecular FormulaC11H10FN3O5
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole
SMILESO=[N+]([O-])c1cccc(OCF)c1COc1ccn(O)n1
InChIInChI=1S/C11H10FN3O5/c12-7-20-10-3-1-2-9(15(17)18)8(10)6-19-11-4-5-14(16)13-11/h1-5,16H,6-7H2
InChIKeyZWAFFOKSFQAMPR-UHFFFAOYSA-N
XLogP1.91
TPSA99.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole
CID 126575691
3-[[2-(fluoromethoxy)-6-(sulfinylamino)phenyl]methoxy]-1-methylpyrazole
CID 160628242
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylbenzoic acid
CID 126579823
3-(difluoromethoxy)-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride
CID 126579877
2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine
CID 144783794
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propan-2-yloxybenzoic acid
CID 126579361
3-bromo-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl bromide
CID 126579440
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propan-2-yloxybenzoyl chloride
CID 126579439
3-ethynyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride
CID 126579405
3-ethyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoic acid
CID 126576153
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-(trifluoromethoxy)benzoyl azide
CID 126579472
[2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylsulfanylphenyl] cyanate
CID 126576251

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole?
The IUPAC name of 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole (CID 126579178) is 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole.
What is the SMILES notation for 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole?
The canonical SMILES for 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole is O=[N+]([O-])c1cccc(OCF)c1COc1ccn(O)n1.
What is the InChIKey of 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole?
The InChIKey is ZWAFFOKSFQAMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O5/c12-7-20-10-3-1-2-9(15(17)18)8(10)6-19-11-4-5-14(16)13-11/h1-5,16H,6-7H2.
What are the key properties of 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole?
3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole has a molecular weight of 283.22 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole is sourced from PubChem (CID 126579178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).