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

C13H15F2N3O — CID 66017374

IUPAC5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2cc(F)ccc2F)c1N
InChIInChI=1S/C13H15F2N3O/c1-3-4-10-12(16)13(18(2)17-10)19-11-7-8(14)5-6-9(11)15/h5-7H,3-4,16H2,1-2H3
InChIKeyDYJCIONFZUXXIC-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.03
Rot. Bonds4

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

5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66017374) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
PubChem CID66017374
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(Oc2cc(F)ccc2F)c1N
InChIInChI=1S/C13H15F2N3O/c1-3-4-10-12(16)13(18(2)17-10)19-11-7-8(14)5-6-9(11)15/h5-7H,3-4,16H2,1-2H3
InChIKeyDYJCIONFZUXXIC-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine (CID 66017374) is 5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(Oc2cc(F)ccc2F)c1N.
What is the InChIKey of 5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is DYJCIONFZUXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-3-4-10-12(16)13(18(2)17-10)19-11-7-8(14)5-6-9(11)15/h5-7H,3-4,16H2,1-2H3.
What are the key properties of 5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine?
5-(2,5-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-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66017374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).