5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine

C13H15F2N3O — CID 66017182

IUPAC5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2cccc(F)c2F)c1N
InChIInChI=1S/C13H15F2N3O/c1-3-5-9-12(16)13(18(2)17-9)19-10-7-4-6-8(14)11(10)15/h4,6-7H,3,5,16H2,1-2H3
InChIKeyRISOEAFOYKMMRK-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.03
Rot. Bonds4

About 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine

5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66017182) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
PubChem CID66017182
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2cccc(F)c2F)c1N
InChIInChI=1S/C13H15F2N3O/c1-3-5-9-12(16)13(18(2)17-9)19-10-7-4-6-8(14)11(10)15/h4,6-7H,3,5,16H2,1-2H3
InChIKeyRISOEAFOYKMMRK-UHFFFAOYSA-N
XLogP3.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine (CID 66017182) is 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(Oc2cccc(F)c2F)c1N.
What is the InChIKey of 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is RISOEAFOYKMMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-3-5-9-12(16)13(18(2)17-9)19-10-7-4-6-8(14)11(10)15/h4,6-7H,3,5,16H2,1-2H3.
What are the key properties of 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine?
5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 267.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66017182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).