1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine

C12H13F2N3O — CID 7017262

IUPAC1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(COc2ccc(F)cc2F)c(C)c1N
InChIInChI=1S/C12H13F2N3O/c1-7-12(15)8(2)17(16-7)6-18-11-4-3-9(13)5-10(11)14/h3-5H,6,15H2,1-2H3
InChIKeyHACMXUZTKLJVRS-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.40
Rot. Bonds3

About 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine

1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 7017262) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID7017262
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(COc2ccc(F)cc2F)c(C)c1N
InChIInChI=1S/C12H13F2N3O/c1-7-12(15)8(2)17(16-7)6-18-11-4-3-9(13)5-10(11)14/h3-5H,6,15H2,1-2H3
InChIKeyHACMXUZTKLJVRS-UHFFFAOYSA-N
XLogP2.40
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine (CID 7017262) is 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine is Cc1nn(COc2ccc(F)cc2F)c(C)c1N.
What is the InChIKey of 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is HACMXUZTKLJVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-7-12(15)8(2)17(16-7)6-18-11-4-3-9(13)5-10(11)14/h3-5H,6,15H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 253.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 7017262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).