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

C13H16FN3O — CID 66013087

IUPAC1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1cc(C)ccc1F
InChIInChI=1S/C13H16FN3O/c1-4-17-13(12(15)9(3)16-17)18-11-7-8(2)5-6-10(11)14/h5-7H,4,15H2,1-3H3
InChIKeyOQXNQQUKONJVAB-UHFFFAOYSA-N
MW249.29 g/mol
LogP3.03
Rot. Bonds3

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

1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine (PubChem CID 66013087) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine
PubChem CID66013087
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine
SMILESCCn1nc(C)c(N)c1Oc1cc(C)ccc1F
InChIInChI=1S/C13H16FN3O/c1-4-17-13(12(15)9(3)16-17)18-11-7-8(2)5-6-10(11)14/h5-7H,4,15H2,1-3H3
InChIKeyOQXNQQUKONJVAB-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine?
The IUPAC name of 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine (CID 66013087) is 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine?
The canonical SMILES for 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine is CCn1nc(C)c(N)c1Oc1cc(C)ccc1F.
What is the InChIKey of 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine?
The InChIKey is OQXNQQUKONJVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-4-17-13(12(15)9(3)16-17)18-11-7-8(2)5-6-10(11)14/h5-7H,4,15H2,1-3H3.
What are the key properties of 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine?
1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine has a molecular weight of 249.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(2-fluoro-5-methylphenoxy)-3-methylpyrazol-4-amine is sourced from PubChem (CID 66013087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).