5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline

C11H12FN3O2 — CID 116792446

IUPAC5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
SMILESCOc1cc(Oc2cnn(C)c2)c(N)cc1F
InChIInChI=1S/C11H12FN3O2/c1-15-6-7(5-14-15)17-11-4-10(16-2)8(12)3-9(11)13/h3-6H,13H2,1-2H3
InChIKeyAXHJWEKJGIYPQP-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.94
Rot. Bonds3

About 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline

5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline (PubChem CID 116792446) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline.

Molecular Properties

Compound Name5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
PubChem CID116792446
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline
SMILESCOc1cc(Oc2cnn(C)c2)c(N)cc1F
InChIInChI=1S/C11H12FN3O2/c1-15-6-7(5-14-15)17-11-4-10(16-2)8(12)3-9(11)13/h3-6H,13H2,1-2H3
InChIKeyAXHJWEKJGIYPQP-UHFFFAOYSA-N
XLogP1.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-5-iodo-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792433
3-fluoro-4-(1-methylpyrazol-4-yl)oxyaniline
CID 116792351
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)sulfanylaniline
CID 63600024
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
4,5-dimethoxy-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800610
3,4-difluoro-2-(1-methylpyrazol-4-yl)oxyaniline
CID 116792425
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
CID 63599997
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline?
The IUPAC name of 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline (CID 116792446) is 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline.
What is the SMILES notation for 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline?
The canonical SMILES for 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline is COc1cc(Oc2cnn(C)c2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline?
The InChIKey is AXHJWEKJGIYPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-15-6-7(5-14-15)17-11-4-10(16-2)8(12)3-9(11)13/h3-6H,13H2,1-2H3.
What are the key properties of 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline?
5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline has a molecular weight of 237.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-2-(1-methylpyrazol-4-yl)oxyaniline is sourced from PubChem (CID 116792446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).