5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine

C11H11ClFN3O — CID 114264208

IUPAC5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2cc(F)ccc2Cl)c1N
InChIInChI=1S/C11H11ClFN3O/c1-6-10(14)11(16(2)15-6)17-9-5-7(13)3-4-8(9)12/h3-5H,14H2,1-2H3
InChIKeyKGFJOQOYTSJPOD-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.90
Rot. Bonds2

About 5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine

5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (PubChem CID 114264208) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
PubChem CID114264208
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2cc(F)ccc2Cl)c1N
InChIInChI=1S/C11H11ClFN3O/c1-6-10(14)11(16(2)15-6)17-9-5-7(13)3-4-8(9)12/h3-5H,14H2,1-2H3
InChIKeyKGFJOQOYTSJPOD-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

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Related Compounds

5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 82716620
5-(2-chloro-4-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028655
5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66014073
4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole
CID 141279737
5-(2,5-dichlorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66011123
5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66025940
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017374
4-chloro-2-(2-chloro-5-fluorophenoxy)-3-methylaniline
CID 112740963
[5-(2,5-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 63269563
[5-(5-fluoro-2-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 102989934
5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 116688551

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (CID 114264208) is 5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(Oc2cc(F)ccc2Cl)c1N.
What is the InChIKey of 5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The InChIKey is KGFJOQOYTSJPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-6-10(14)11(16(2)15-6)17-9-5-7(13)3-4-8(9)12/h3-5H,14H2,1-2H3.
What are the key properties of 5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
5-(2-chloro-5-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-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 114264208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).