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

C10H9N3O3 — CID 90135701

IUPAC1-(2-methoxy-3-nitrophenyl)pyrazole
SMILESCOc1c(-n2cccn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O3/c1-16-10-8(12-7-3-6-11-12)4-2-5-9(10)13(14)15/h2-7H,1H3
InChIKeyQPPXEOGGJQZPQY-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.79
Rot. Bonds3

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

1-(2-methoxy-3-nitrophenyl)pyrazole (PubChem CID 90135701) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 1-(2-methoxy-3-nitrophenyl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxy-3-nitrophenyl)pyrazole
PubChem CID90135701
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name1-(2-methoxy-3-nitrophenyl)pyrazole
SMILESCOc1c(-n2cccn2)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H9N3O3/c1-16-10-8(12-7-3-6-11-12)4-2-5-9(10)13(14)15/h2-7H,1H3
InChIKeyQPPXEOGGJQZPQY-UHFFFAOYSA-N
XLogP1.79
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.79
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

1-(4,5-dimethoxy-2-nitrophenyl)pyrazole
CID 83008145
1-(2,3-dimethoxyphenyl)pyrazole
CID 90873377
2-methoxy-N-methyl-3-pyrazol-1-ylaniline
CID 123545407
potassium 2-methoxy-3-nitrophenol
CID 67083613
5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
CID 90142163
benzyl 2-methoxy-3-pyrazol-1-ylbenzoate
CID 138713680
methyl 2-nitro-5-pyrazol-1-ylbenzoate
CID 58565081
methanamine;1-(3-nitrofuran-2-yl)pyrazole
CID 70620262
1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
N-(3,4-dimethoxyphenyl)-3-nitro-4-pyrazol-1-ylbenzamide
CID 1473823
1-(3-nitrothiophen-2-yl)pyrazole
CID 12554486
2-methoxy-3-nitrobenzoyl chloride
CID 21406531

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-nitrophenyl)pyrazole?
The IUPAC name of 1-(2-methoxy-3-nitrophenyl)pyrazole (CID 90135701) is 1-(2-methoxy-3-nitrophenyl)pyrazole.
What is the SMILES notation for 1-(2-methoxy-3-nitrophenyl)pyrazole?
The canonical SMILES for 1-(2-methoxy-3-nitrophenyl)pyrazole is COc1c(-n2cccn2)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methoxy-3-nitrophenyl)pyrazole?
The InChIKey is QPPXEOGGJQZPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-10-8(12-7-3-6-11-12)4-2-5-9(10)13(14)15/h2-7H,1H3.
What are the key properties of 1-(2-methoxy-3-nitrophenyl)pyrazole?
1-(2-methoxy-3-nitrophenyl)pyrazole has a molecular weight of 219.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-nitrophenyl)pyrazole is sourced from PubChem (CID 90135701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).