1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole

C11H11N3O4 — CID 126575691

IUPAC1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole
SMILESCc1cccc([N+](=O)[O-])c1COc1ccn(O)n1
InChIInChI=1S/C11H11N3O4/c1-8-3-2-4-10(14(16)17)9(8)7-18-11-5-6-13(15)12-11/h2-6,15H,7H2,1H3
InChIKeyNQHUTFLTDKCIBB-UHFFFAOYSA-N
MW249.23 g/mol
LogP1.92
Rot. Bonds4

About 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole

1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole (PubChem CID 126575691) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole.

Molecular Properties

Compound Name1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole
PubChem CID126575691
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole
SMILESCc1cccc([N+](=O)[O-])c1COc1ccn(O)n1
InChIInChI=1S/C11H11N3O4/c1-8-3-2-4-10(14(16)17)9(8)7-18-11-5-6-13(15)12-11/h2-6,15H,7H2,1H3
InChIKeyNQHUTFLTDKCIBB-UHFFFAOYSA-N
XLogP1.92
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-[[2-(fluoromethoxy)-6-nitrophenyl]methoxy]-1-hydroxypyrazole
CID 126579178
3-ethyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoic acid
CID 126576153
3-bromo-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl bromide
CID 126579440
ethyl 2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propylbenzoate
CID 126579222
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-prop-1-ynylbenzamide
CID 126579654
2-(cyclopentyloxymethyl)-1-methyl-3-nitrobenzene
CID 122651735
3-ethynyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride
CID 126579405
ethyl 3-cyclopropyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoate
CID 126579791
methyl 3-methyl-2-[(1-methylpyrazol-3-yl)oxymethyl]benzoate
CID 138495699
3-[(2-ethylsulfanyl-6-iodophenyl)methoxy]-1-hydroxypyrazole
CID 126579425
2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propan-2-yloxybenzoyl chloride
CID 126579439
N-hydroxy-2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-methylsulfanylbenzamide
CID 126579759

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole?
The IUPAC name of 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole (CID 126575691) is 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole.
What is the SMILES notation for 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole?
The canonical SMILES for 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole is Cc1cccc([N+](=O)[O-])c1COc1ccn(O)n1.
What is the InChIKey of 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole?
The InChIKey is NQHUTFLTDKCIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-8-3-2-4-10(14(16)17)9(8)7-18-11-5-6-13(15)12-11/h2-6,15H,7H2,1H3.
What are the key properties of 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole?
1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole has a molecular weight of 249.23 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[(2-methyl-6-nitrophenyl)methoxy]pyrazole is sourced from PubChem (CID 126575691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).