3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine

C13H16FN3O — CID 117375997

IUPAC3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(-c2cc(N)n(C)n2)c(OC)cc1F
InChIInChI=1S/C13H16FN3O/c1-4-8-5-9(12(18-3)6-10(8)14)11-7-13(15)17(2)16-11/h5-7H,4,15H2,1-3H3
InChIKeyAEJUZZJYZZOTOU-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.38
Rot. Bonds3

About 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine

3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117375997) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117375997
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(-c2cc(N)n(C)n2)c(OC)cc1F
InChIInChI=1S/C13H16FN3O/c1-4-8-5-9(12(18-3)6-10(8)14)11-7-13(15)17(2)16-11/h5-7H,4,15H2,1-3H3
InChIKeyAEJUZZJYZZOTOU-UHFFFAOYSA-N
XLogP2.38
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-(5-chloro-2-ethyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418518
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476523
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658
1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
3-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117478815
6-(5-amino-1-methylpyrazol-3-yl)-5-methoxy-1,3-benzoxathiol-2-one
CID 117444116

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117375997) is 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is CCc1cc(-c2cc(N)n(C)n2)c(OC)cc1F.
What is the InChIKey of 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is AEJUZZJYZZOTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-4-8-5-9(12(18-3)6-10(8)14)11-7-13(15)17(2)16-11/h5-7H,4,15H2,1-3H3.
What are the key properties of 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 249.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117375997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).