3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C12H13F2N3O — CID 117385342

IUPAC3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1cc(F)c(F)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C12H13F2N3O/c1-17-11(15)5-10(16-17)8-3-7(6-18-2)4-9(13)12(8)14/h3-5H,6,15H2,1-2H3
InChIKeyUZIHGPZKBJNKJK-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.09
Rot. Bonds3

About 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117385342) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117385342
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1cc(F)c(F)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C12H13F2N3O/c1-17-11(15)5-10(16-17)8-3-7(6-18-2)4-9(13)12(8)14/h3-5H,6,15H2,1-2H3
InChIKeyUZIHGPZKBJNKJK-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117385342) is 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1cc(F)c(F)c(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is UZIHGPZKBJNKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-17-11(15)5-10(16-17)8-3-7(6-18-2)4-9(13)12(8)14/h3-5H,6,15H2,1-2H3.
What are the key properties of 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 253.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117385342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).