3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine

C13H16FN3O — CID 117376002

IUPAC3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)c(F)cc(-c2cc(N)n(C)n2)c1C
InChIInChI=1S/C13H16FN3O/c1-7-9(11-6-12(15)17(3)16-11)5-10(14)8(2)13(7)18-4/h5-6H,15H2,1-4H3
InChIKeyNCEACMSJXLRLKJ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.43
Rot. Bonds2

About 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine

3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117376002) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
PubChem CID117376002
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)c(F)cc(-c2cc(N)n(C)n2)c1C
InChIInChI=1S/C13H16FN3O/c1-7-9(11-6-12(15)17(3)16-11)5-10(14)8(2)13(7)18-4/h5-6H,15H2,1-4H3
InChIKeyNCEACMSJXLRLKJ-UHFFFAOYSA-N
XLogP2.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
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
3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine
CID 117419260
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117427225
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375997
3-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376795
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117436877

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine (CID 117376002) is 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine is COc1c(C)c(F)cc(-c2cc(N)n(C)n2)c1C.
What is the InChIKey of 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is NCEACMSJXLRLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-7-9(11-6-12(15)17(3)16-11)5-10(14)8(2)13(7)18-4/h5-6H,15H2,1-4H3.
What are the key properties of 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine?
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 249.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117376002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).