4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C12H14FN3O — CID 117342045

IUPAC4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccc(-c2cnn(C)c2N)c(F)c1
InChIInChI=1S/C12H14FN3O/c1-16-12(14)10(6-15-16)9-4-3-8(7-17-2)5-11(9)13/h3-6H,7,14H2,1-2H3
InChIKeyOMUOHOGFWGMBNG-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.95
Rot. Bonds3

About 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117342045) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117342045
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccc(-c2cnn(C)c2N)c(F)c1
InChIInChI=1S/C12H14FN3O/c1-16-12(14)10(6-15-16)9-4-3-8(7-17-2)5-11(9)13/h3-6H,7,14H2,1-2H3
InChIKeyOMUOHOGFWGMBNG-UHFFFAOYSA-N
XLogP1.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385316
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444282
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117477168
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine
CID 117312379
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117342045) is 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1ccc(-c2cnn(C)c2N)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is OMUOHOGFWGMBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-16-12(14)10(6-15-16)9-4-3-8(7-17-2)5-11(9)13/h3-6H,7,14H2,1-2H3.
What are the key properties of 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 235.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117342045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).