3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine

C11H12FN3O — CID 103079208

IUPAC3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine
SMILESCc1cc(F)ccc1Oc1nn(C)cc1N
InChIInChI=1S/C11H12FN3O/c1-7-5-8(12)3-4-10(7)16-11-9(13)6-15(2)14-11/h3-6H,13H2,1-2H3
InChIKeyJHXUTESKKPWVGG-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.24
Rot. Bonds2

About 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine

3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine (PubChem CID 103079208) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine
PubChem CID103079208
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine
SMILESCc1cc(F)ccc1Oc1nn(C)cc1N
InChIInChI=1S/C11H12FN3O/c1-7-5-8(12)3-4-10(7)16-11-9(13)6-15(2)14-11/h3-6H,13H2,1-2H3
InChIKeyJHXUTESKKPWVGG-UHFFFAOYSA-N
XLogP2.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-methylphenoxy)-1-methylpyrazol-4-amine
CID 107168524
3-(2,4-dichlorophenoxy)-1-methylpyrazol-4-amine;hydrochloride
CID 102565571
3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine
CID 103079177
3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
CID 103079063
3-(3,5-dimethylphenoxy)-1-methylpyrazol-4-amine
CID 90480970
2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
2-(4-fluoro-2-methylphenoxy)-3-methylaniline
CID 68879061
3-(2,5-dibromo-4-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 103079192
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
3-bromo-8-(4-fluoro-2-methylphenoxy)quinolin-5-amine
CID 106949902
2-(4-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 116797992
2-(4-tert-butyl-2-methylphenoxy)-4-fluoroaniline
CID 63457104

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine (CID 103079208) is 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine is Cc1cc(F)ccc1Oc1nn(C)cc1N.
What is the InChIKey of 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine?
The InChIKey is JHXUTESKKPWVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7-5-8(12)3-4-10(7)16-11-9(13)6-15(2)14-11/h3-6H,13H2,1-2H3.
What are the key properties of 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine?
3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine has a molecular weight of 221.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenoxy)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).