5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine

C13H15ClFN3O — CID 116688551

IUPAC5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3O/c1-3-7-18-13(12(16)8(2)17-18)19-10-6-4-5-9(14)11(10)15/h4-6H,3,7,16H2,1-2H3
InChIKeyIIYJJEGLWQODQB-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.77
Rot. Bonds4

About 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine

5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine (PubChem CID 116688551) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
PubChem CID116688551
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3O/c1-3-7-18-13(12(16)8(2)17-18)19-10-6-4-5-9(14)11(10)15/h4-6H,3,7,16H2,1-2H3
InChIKeyIIYJJEGLWQODQB-UHFFFAOYSA-N
XLogP3.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine (CID 116688551) is 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1Oc1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is IIYJJEGLWQODQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-3-7-18-13(12(16)8(2)17-18)19-10-6-4-5-9(14)11(10)15/h4-6H,3,7,16H2,1-2H3.
What are the key properties of 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 283.73 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 116688551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).