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

C13H15F2N3O — CID 66026396

IUPAC5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(Oc2cccc(F)c2F)c1N
InChIInChI=1S/C13H15F2N3O/c1-7(2)18-13(12(16)8(3)17-18)19-10-6-4-5-9(14)11(10)15/h4-7H,16H2,1-3H3
InChIKeyADEWEFUMKAFEIY-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.43
Rot. Bonds3

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

5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66026396) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66026396
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(Oc2cccc(F)c2F)c1N
InChIInChI=1S/C13H15F2N3O/c1-7(2)18-13(12(16)8(3)17-18)19-10-6-4-5-9(14)11(10)15/h4-7H,16H2,1-3H3
InChIKeyADEWEFUMKAFEIY-UHFFFAOYSA-N
XLogP3.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzonitrile
CID 66025493
5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66025940
3-methyl-5-naphthalen-2-yloxy-1-propan-2-ylpyrazol-4-amine
CID 66024832
5-methoxy-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66025269
5-(2,3-difluorophenoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66017182
4-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)oxybenzamide
CID 66023511
5-(3-chloro-2-fluorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 116688551
3-methyl-1-propan-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)oxypyrazol-4-amine
CID 66024840
1-[5-(2,3-difluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63036962
2-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)oxyaniline
CID 66028535
5-[3-(dimethylamino)propoxy]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66024839
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 66026396) is 5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(Oc2cccc(F)c2F)c1N.
What is the InChIKey of 5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is ADEWEFUMKAFEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-7(2)18-13(12(16)8(3)17-18)19-10-6-4-5-9(14)11(10)15/h4-7H,16H2,1-3H3.
What are the key properties of 5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine?
5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 267.28 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66026396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).