4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole

C11H11N3O4 — CID 154676943

IUPAC4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole
SMILESCOc1cc(Oc2cnn(C)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-13-7-9(6-12-13)18-8-3-4-10(14(15)16)11(5-8)17-2/h3-7H,1-2H3
InChIKeyYNQNOJIGEPNBMK-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.13
Rot. Bonds4

About 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole

4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole (PubChem CID 154676943) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole
PubChem CID154676943
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole
SMILESCOc1cc(Oc2cnn(C)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O4/c1-13-7-9(6-12-13)18-8-3-4-10(14(15)16)11(5-8)17-2/h3-7H,1-2H3
InChIKeyYNQNOJIGEPNBMK-UHFFFAOYSA-N
XLogP2.13
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(1-methylpyrazol-4-yl)oxy-3-nitropyridine
CID 100731820
[6-(1-methylpyrazol-4-yl)oxy-5-nitro-2-pyridinyl]hydrazine
CID 116794577
2-(3-methoxy-4-nitrophenoxy)ethanol
CID 66759614
2-fluoro-4-(1-methylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116792576
4-methyl-3-(1-methylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116792584
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
2-(3-methoxy-4-nitrophenoxy)acetic acid
CID 47002219
4-(4-chloro-2-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 131877853
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one
CID 58748572
4-bromo-1-(3-methoxy-4-nitrophenyl)pyrazole
CID 63677500
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole?
The IUPAC name of 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole (CID 154676943) is 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole.
What is the SMILES notation for 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole?
The canonical SMILES for 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole is COc1cc(Oc2cnn(C)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole?
The InChIKey is YNQNOJIGEPNBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-13-7-9(6-12-13)18-8-3-4-10(14(15)16)11(5-8)17-2/h3-7H,1-2H3.
What are the key properties of 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole?
4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole has a molecular weight of 249.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-nitrophenoxy)-1-methylpyrazole is sourced from PubChem (CID 154676943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).