3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole

C11H11N3O3 — CID 90153799

IUPAC3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole
SMILESCOc1c(-c2ccn(C)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O3/c1-13-7-6-9(12-13)8-4-3-5-10(14(15)16)11(8)17-2/h3-7H,1-2H3
InChIKeyGCYFNKDRHITLFW-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.00
Rot. Bonds3

About 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole

3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole (PubChem CID 90153799) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole
PubChem CID90153799
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole
SMILESCOc1c(-c2ccn(C)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H11N3O3/c1-13-7-6-9(12-13)8-4-3-5-10(14(15)16)11(8)17-2/h3-7H,1-2H3
InChIKeyGCYFNKDRHITLFW-UHFFFAOYSA-N
XLogP2.00
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
3-[4-[(E)-2-carboxyethenyl]-3-(4-methoxy-3-nitrophenyl)-1-pyrazolyl]propanoic acid
CID 2389045
4-[(Z)-2-(4-Methoxyphenyl)-2-nitro-1-ethenyl]-1-methyl-1H-pyrazole
CID 145916478
3-(2-Methoxy-5-prop-2-enylphenyl)-1-prop-2-enylpyrazole
CID 155520549
5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 12581091
3-(2-Methoxyphenyl)-1-(2-nitrophenyl)pyrazole
CID 15956822
5-(2-Methoxyphenyl)-1-(2-nitrophenyl)pyrazole
CID 15956823
Cambridge id 6430711
CID 3818293
5-(2-methoxy-5-nitro-phenyl)-1-methyl-3-trifluoromethyl-1H-pyrazole
CID 23139423
4-Fluoro-5-(2-methoxy-5-nitro-phenyl)-1-methyl-1H-pyrazole
CID 23139430
3-(2-Ethoxy-4-fluorophenyl)-1-methylpyrazole
CID 58898669
1-Methyl-5-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole
CID 71285756

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole?
The IUPAC name of 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole (CID 90153799) is 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole?
The canonical SMILES for 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole is COc1c(-c2ccn(C)n2)cccc1[N+](=O)[O-].
What is the InChIKey of 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole?
The InChIKey is GCYFNKDRHITLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-13-7-6-9(12-13)8-4-3-5-10(14(15)16)11(8)17-2/h3-7H,1-2H3.
What are the key properties of 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole?
3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole has a molecular weight of 233.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-nitrophenyl)-1-methylpyrazole is sourced from PubChem (CID 90153799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).