3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline

C11H12FN3O — CID 50896803

IUPAC3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline
SMILESCn1nccc1COc1ccc(N)cc1F
InChIInChI=1S/C11H12FN3O/c1-15-9(4-5-14-15)7-16-11-3-2-8(13)6-10(11)12/h2-6H,7,13H2,1H3
InChIKeyMABSMPIXVNPZDD-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.72
Rot. Bonds3

About 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline

3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline (PubChem CID 50896803) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline
PubChem CID50896803
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline
SMILESCn1nccc1COc1ccc(N)cc1F
InChIInChI=1S/C11H12FN3O/c1-15-9(4-5-14-15)7-16-11-3-2-8(13)6-10(11)12/h2-6H,7,13H2,1H3
InChIKeyMABSMPIXVNPZDD-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

2-[3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione
CID 168518594
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202
5-[(2,4-difluorophenoxy)methyl]-1-methylpyrazol-3-amine
CID 122171360
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
CID 114929926
4-amino-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 55205164
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 107700474
4-[(2-chloro-4-pyridinyl)methoxy]-3-fluoroaniline
CID 141490423
3-methoxy-4-[(2-methylpyrazol-3-yl)methyl]aniline
CID 174825806
3-fluoro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961547
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003611
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline?
The IUPAC name of 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline (CID 50896803) is 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline.
What is the SMILES notation for 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline?
The canonical SMILES for 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline is Cn1nccc1COc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline?
The InChIKey is MABSMPIXVNPZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-9(4-5-14-15)7-16-11-3-2-8(13)6-10(11)12/h2-6H,7,13H2,1H3.
What are the key properties of 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline?
3-fluoro-4-[(2-methylpyrazol-3-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 3-fluoro-4-[(2-methylpyrazol-3-yl)methoxy]aniline is sourced from PubChem (CID 50896803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).