4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

C13H16FN3O2 — CID 117416887

IUPAC4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccc(-c2cnn(C)c2N)c(OC)c1F
InChIInChI=1S/C13H16FN3O2/c1-17-13(15)10(6-16-17)9-5-4-8(7-18-2)11(14)12(9)19-3/h4-6H,7,15H2,1-3H3
InChIKeyUXIVESATLCVGCQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.96
Rot. Bonds4

About 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine

4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117416887) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117416887
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccc(-c2cnn(C)c2N)c(OC)c1F
InChIInChI=1S/C13H16FN3O2/c1-17-13(15)10(6-16-17)9-5-4-8(7-18-2)11(14)12(9)19-3/h4-6H,7,15H2,1-3H3
InChIKeyUXIVESATLCVGCQ-UHFFFAOYSA-N
XLogP1.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385316
4-[2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117309638
4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117342045
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-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
[3-(5-amino-1-methylpyrazol-4-yl)-2-methoxyphenyl]methanol
CID 117338191
4-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444282
4-(methoxymethyl)-1-methylpyrazol-5-amine
CID 84648635
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
4-(5-amino-1-methylpyrazol-4-yl)-2,3-dimethoxybenzaldehyde
CID 117407008

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117416887) is 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1ccc(-c2cnn(C)c2N)c(OC)c1F.
What is the InChIKey of 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is UXIVESATLCVGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-17-13(15)10(6-16-17)9-5-4-8(7-18-2)11(14)12(9)19-3/h4-6H,7,15H2,1-3H3.
What are the key properties of 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 265.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117416887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).