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

C11H11ClFN3O — CID 63879491

IUPAC5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2ccc(F)c(Cl)c2)c1N
InChIInChI=1S/C11H11ClFN3O/c1-6-10(14)11(16(2)15-6)17-7-3-4-9(13)8(12)5-7/h3-5H,14H2,1-2H3
InChIKeyYVIWJNQZCSFJEE-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.90
Rot. Bonds2

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

5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (PubChem CID 63879491) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
PubChem CID63879491
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2ccc(F)c(Cl)c2)c1N
InChIInChI=1S/C11H11ClFN3O/c1-6-10(14)11(16(2)15-6)17-7-3-4-9(13)8(12)5-7/h3-5H,14H2,1-2H3
InChIKeyYVIWJNQZCSFJEE-UHFFFAOYSA-N
XLogP2.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-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-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (CID 63879491) is 5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(Oc2ccc(F)c(Cl)c2)c1N.
What is the InChIKey of 5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The InChIKey is YVIWJNQZCSFJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-6-10(14)11(16(2)15-6)17-7-3-4-9(13)8(12)5-7/h3-5H,14H2,1-2H3.
What are the key properties of 5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine has a molecular weight of 255.68 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 63879491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).