5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline

C11H12FN3O — CID 19627126

IUPAC5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline
SMILESCn1cc(COc2ccc(F)cc2N)cn1
InChIInChI=1S/C11H12FN3O/c1-15-6-8(5-14-15)7-16-11-3-2-9(12)4-10(11)13/h2-6H,7,13H2,1H3
InChIKeyYTEQQVOOIYMVNZ-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.72
Rot. Bonds3

About 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline

5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline (PubChem CID 19627126) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline
PubChem CID19627126
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline
SMILESCn1cc(COc2ccc(F)cc2N)cn1
InChIInChI=1S/C11H12FN3O/c1-15-6-8(5-14-15)7-16-11-3-2-9(12)4-10(11)13/h2-6H,7,13H2,1H3
InChIKeyYTEQQVOOIYMVNZ-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-bromo-5-fluorophenoxy)methyl]-1-methylpyrazole
CID 81496538
4-[[4-fluoro-2-(furan-2-yl)phenoxy]methyl]-1-methylpyrazole
CID 168526787
3-chloro-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 19626971
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
5-[5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]furan-2-carbaldehyde
CID 169334136
5-amino-2-[(1-methylpyrazol-4-yl)methoxy]benzonitrile
CID 55040844
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149
potassium trifluoro-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 63675296
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
N-[[3-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688660
1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 60890187
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline?
The IUPAC name of 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline (CID 19627126) is 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline.
What is the SMILES notation for 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline?
The canonical SMILES for 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline is Cn1cc(COc2ccc(F)cc2N)cn1.
What is the InChIKey of 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline?
The InChIKey is YTEQQVOOIYMVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-6-8(5-14-15)7-16-11-3-2-9(12)4-10(11)13/h2-6H,7,13H2,1H3.
What are the key properties of 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline?
5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline has a molecular weight of 221.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-methylpyrazol-4-yl)methoxy]aniline is sourced from PubChem (CID 19627126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).