4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole

C11H10FN3O3 — CID 155755268

IUPAC4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole
SMILESCOc1cc(F)c(-c2cnn(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10FN3O3/c1-14-6-7(5-13-14)8-3-10(15(16)17)11(18-2)4-9(8)12/h3-6H,1-2H3
InChIKeyBOGMMLTXEQDALZ-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.14
Rot. Bonds3

About 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole

4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole (PubChem CID 155755268) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole
PubChem CID155755268
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole
SMILESCOc1cc(F)c(-c2cnn(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H10FN3O3/c1-14-6-7(5-13-14)8-3-10(15(16)17)11(18-2)4-9(8)12/h3-6H,1-2H3
InChIKeyBOGMMLTXEQDALZ-UHFFFAOYSA-N
XLogP2.14
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.14
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 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole 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-[(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
Cambridge id 6430711
CID 3818293
4-chloro-3-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15278574
4-Fluoro-5-(2-methoxy-5-nitro-phenyl)-1-methyl-1H-pyrazole
CID 23139430
4-(2,6-Difluoro-4-methoxyphenyl)-1,3-dimethylpyrazole
CID 67135525
1-Ethyl-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole
CID 71285913
1-Methyl-4-[5-nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole
CID 71285942
4-[5-Nitro-2-[2-(trifluoromethoxy)phenyl]phenyl]-1-propan-2-ylpyrazole
CID 71286142
4-(3-(difluoromethoxy)-4-nitrophenyl)-1-methyl-1H-pyrazole
CID 89996095
4-Fluoro-1-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)pyrazole
CID 118618665
1-[(4-Methoxyphenyl)methyl]-4-nitro-3-(trifluoromethyl)pyrazole
CID 118678592

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole?
The IUPAC name of 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole (CID 155755268) is 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole.
What is the SMILES notation for 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole?
The canonical SMILES for 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole is COc1cc(F)c(-c2cnn(C)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole?
The InChIKey is BOGMMLTXEQDALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-14-6-7(5-13-14)8-3-10(15(16)17)11(18-2)4-9(8)12/h3-6H,1-2H3.
What are the key properties of 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole?
4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole has a molecular weight of 251.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxy-5-nitrophenyl)-1-methylpyrazole is sourced from PubChem (CID 155755268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).