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

C16H13N3O3 — CID 15956822

IUPAC3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole
SMILESCOc1ccccc1-c1ccn(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C16H13N3O3/c1-22-16-9-5-2-6-12(16)13-10-11-18(17-13)14-7-3-4-8-15(14)19(20)21/h2-11H,1H3
InChIKeyKQDCYAOFTOFSJG-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.46
Rot. Bonds4

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

3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole (PubChem CID 15956822) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole
PubChem CID15956822
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole
SMILESCOc1ccccc1-c1ccn(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C16H13N3O3/c1-22-16-9-5-2-6-12(16)13-10-11-18(17-13)14-7-3-4-8-15(14)19(20)21/h2-11H,1H3
InChIKeyKQDCYAOFTOFSJG-UHFFFAOYSA-N
XLogP3.46
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.46
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'}

Analyze 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolamine
CID 2110942
1-(2-methoxy-5-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}benzyl)-4-nitro-1H-pyrazole
CID 9633403
1-{2-methoxy-5-[(E)-(2-phenylhydrazinylidene)methyl]benzyl}-3,5-dimethyl-4-nitro-1H-pyrazole
CID 9676959
2-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}isoxazolidine
CID 16191137
4-(4-Methoxyphenyl)-1-[(4-nitrophenyl)methyl]triazole
CID 24789345
2-(4-Methoxyphenyl)-1-methyl-3-nitropyrrole
CID 168282260
5-(4-Methoxyphenyl)-1-(4-nitrophenyl)triazole
CID 2366343
5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
1-(3-Methoxyphenyl)-4-(3-nitrophenyl)triazole
CID 122190583
3-(2-Methoxy-5-prop-2-enylphenyl)-1-phenylpyrazole
CID 155513399
4-(2-Methoxyphenyl)-1-phenylpyrazole
CID 21188006

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole?
The IUPAC name of 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole (CID 15956822) is 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole?
The canonical SMILES for 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole is COc1ccccc1-c1ccn(-c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole?
The InChIKey is KQDCYAOFTOFSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-16-9-5-2-6-12(16)13-10-11-18(17-13)14-7-3-4-8-15(14)19(20)21/h2-11H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole?
3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole has a molecular weight of 295.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-1-(2-nitrophenyl)pyrazole is sourced from PubChem (CID 15956822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).