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

Analyze 5-(2,3-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

Related Compounds

5-(2,5-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017374
2-(4-amino-1-methyl-3-propylpyrazol-5-yl)oxybenzamide
CID 66017755
5-(3-fluoro-4-methylphenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 107168557
5-ethoxy-1-methyl-3-propylpyrazol-4-amine
CID 66019111
1-methyl-5-naphthalen-2-yloxy-3-propylpyrazol-4-amine
CID 66019114
3-ethyl-1-methyl-5-naphthalen-1-yloxypyrazol-4-amine
CID 66014063
5-(2-fluorophenyl)sulfanyl-1-methyl-3-propylpyrazol-4-amine
CID 66019510
[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)oxyphenyl]methanol
CID 66019121
5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66015459
5-(2-chloro-4-fluorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
CID 66014073
1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63036962
5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66026396

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).