4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C12H13F2N3O — CID 117385316

IUPAC4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1c(F)ccc(-c2cnn(C)c2N)c1F
InChIInChI=1S/C12H13F2N3O/c1-17-12(15)8(5-16-17)7-3-4-10(13)9(6-18-2)11(7)14/h3-5H,6,15H2,1-2H3
InChIKeyODNBJKZNQPOVEV-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.09
Rot. Bonds3

About 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117385316) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117385316
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1c(F)ccc(-c2cnn(C)c2N)c1F
InChIInChI=1S/C12H13F2N3O/c1-17-12(15)8(5-16-17)7-3-4-10(13)9(6-18-2)11(7)14/h3-5H,6,15H2,1-2H3
InChIKeyODNBJKZNQPOVEV-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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Related Compounds

4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117342045
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319241
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117482175
4-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444289
4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117477168
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-(5-amino-1-methylpyrazol-4-yl)-3-fluoro-2-methylsulfanylphenol
CID 117385998
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117385316) is 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1c(F)ccc(-c2cnn(C)c2N)c1F.
What is the InChIKey of 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is ODNBJKZNQPOVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-17-12(15)8(5-16-17)7-3-4-10(13)9(6-18-2)11(7)14/h3-5H,6,15H2,1-2H3.
What are the key properties of 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
4-[2,4-difluoro-3-(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 4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117385316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).