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

C11H11ClFN3O — CID 82716620

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

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

5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (PubChem CID 82716620) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
PubChem CID82716620
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(Oc2ccc(Cl)c(F)c2)c1N
InChIInChI=1S/C11H11ClFN3O/c1-6-10(14)11(16(2)15-6)17-7-3-4-8(12)9(13)5-7/h3-5H,14H2,1-2H3
InChIKeyDVYGILDZKKIFKS-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

2-[5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 82726959
5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 114264208
5-(4-iodophenoxy)-1,3-dimethylpyrazol-4-amine
CID 43554486
5-(3,4-difluorophenoxy)-1-ethyl-3-methylpyrazol-4-amine
CID 66012495
5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 107168557
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
4-(bromomethyl)-5-(3,4-difluorophenoxy)-1,3-dimethylpyrazole
CID 107087762
5-(4-bromo-3-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66016663
5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazole-4-carboxylic acid
CID 61000631
1,3-dimethyl-5-(1-methylpyrazol-4-yl)oxypyrazol-4-amine
CID 116792438
2-(4-chloro-3-fluorophenoxy)-6-methylpyridin-3-amine
CID 82716853
5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
CID 28951562

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine (CID 82716620) is 5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(Oc2ccc(Cl)c(F)c2)c1N.
What is the InChIKey of 5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
The InChIKey is DVYGILDZKKIFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-6-10(14)11(16(2)15-6)17-7-3-4-8(12)9(13)5-7/h3-5H,14H2,1-2H3.
What are the key properties of 5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine?
5-(4-chloro-3-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-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 82716620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).