3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine

C11H11FN4O3 — CID 117419260

IUPAC3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)cc([N+](=O)[O-])cc1-c1cc(N)n(C)n1
InChIInChI=1S/C11H11FN4O3/c1-15-10(13)5-9(14-15)7-3-6(16(17)18)4-8(12)11(7)19-2/h3-5H,13H2,1-2H3
InChIKeyGWQQGVWLXHKRDK-UHFFFAOYSA-N
MW266.23 g/mol
LogP1.73
Rot. Bonds3

About 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine

3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine (PubChem CID 117419260) has the molecular formula C11H11FN4O3 and a molecular weight of 266.23 g/mol. Its IUPAC name is 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine
PubChem CID117419260
Molecular FormulaC11H11FN4O3
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(F)cc([N+](=O)[O-])cc1-c1cc(N)n(C)n1
InChIInChI=1S/C11H11FN4O3/c1-15-10(13)5-9(14-15)7-3-6(16(17)18)4-8(12)11(7)19-2/h3-5H,13H2,1-2H3
InChIKeyGWQQGVWLXHKRDK-UHFFFAOYSA-N
XLogP1.73
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
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'}

Analyze 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine 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

2-(5-amino-1-methylpyrazol-3-yl)-6-fluoro-4-nitrophenol
CID 136942215
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
3-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117459276
1,3-difluoro-2-methoxy-5-nitrobenzene
CID 605060
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
2-(5-amino-1-methylpyrazol-3-yl)-4-fluoro-6-nitrophenol
CID 136942216
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375997
O-[(3-fluoro-2-methoxy-5-nitrophenyl)methyl]hydroxylamine
CID 117307657
3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476523

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine (CID 117419260) is 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine is COc1c(F)cc([N+](=O)[O-])cc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine?
The InChIKey is GWQQGVWLXHKRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3/c1-15-10(13)5-9(14-15)7-3-6(16(17)18)4-8(12)11(7)19-2/h3-5H,13H2,1-2H3.
What are the key properties of 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine?
3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine has a molecular weight of 266.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117419260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).