5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine

C12H13ClFN3O — CID 66014073

IUPAC5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(Oc2ccc(F)cc2Cl)c1N
InChIInChI=1S/C12H13ClFN3O/c1-3-9-11(15)12(17(2)16-9)18-10-5-4-7(14)6-8(10)13/h4-6H,3,15H2,1-2H3
InChIKeyDKNZWYMNHFIAJG-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.15
Rot. Bonds3

About 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine

5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 66014073) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID66014073
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(Oc2ccc(F)cc2Cl)c1N
InChIInChI=1S/C12H13ClFN3O/c1-3-9-11(15)12(17(2)16-9)18-10-5-4-7(14)6-8(10)13/h4-6H,3,15H2,1-2H3
InChIKeyDKNZWYMNHFIAJG-UHFFFAOYSA-N
XLogP3.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66015459
5-(2-chloro-4-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028655
5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017374
4-(4-amino-3-ethyl-1-methylpyrazol-5-yl)oxy-3-fluorobenzonitrile
CID 107670120
3-ethyl-5-(4-ethyl-2-methoxyphenoxy)-1-methylpyrazol-4-amine
CID 107663815
5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 114264208
3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine
CID 66014063
5-(4-chloro-3,5-dimethylphenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66015672
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
5-(4-bromo-3-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66016663
5-(2-bromo-4-fluorophenoxy)-3-ethyl-1-methyl-4-nitropyrazole
CID 66016157
5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017182

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine (CID 66014073) is 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(Oc2ccc(F)cc2Cl)c1N.
What is the InChIKey of 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is DKNZWYMNHFIAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-3-9-11(15)12(17(2)16-9)18-10-5-4-7(14)6-8(10)13/h4-6H,3,15H2,1-2H3.
What are the key properties of 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine?
5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 269.71 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 66014073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).