5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine

C11H12FN3O — CID 43554404

IUPAC5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2ccc(F)cc2)c1N
InChIInChI=1S/C11H12FN3O/c1-7-10(13)11(15(2)14-7)16-9-5-3-8(12)4-6-9/h3-6H,13H2,1-2H3
InChIKeyVTAWHPFQKOCRQK-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.24
Rot. Bonds2

About 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine

5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (PubChem CID 43554404) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
PubChem CID43554404
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2ccc(F)cc2)c1N
InChIInChI=1S/C11H12FN3O/c1-7-10(13)11(15(2)14-7)16-9-5-3-8(12)4-6-9/h3-6H,13H2,1-2H3
InChIKeyVTAWHPFQKOCRQK-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 ≤ 500221.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-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 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (CID 43554404) is 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(Oc2ccc(F)cc2)c1N.
What is the InChIKey of 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The InChIKey is VTAWHPFQKOCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7-10(13)11(15(2)14-7)16-9-5-3-8(12)4-6-9/h3-6H,13H2,1-2H3.
What are the key properties of 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine has a molecular weight of 221.23 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 5-(4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).