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

C13H16FN3O2 — CID 117416917

IUPAC3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1cc(F)c(OC)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C13H16FN3O2/c1-17-12(15)6-11(16-17)9-4-8(7-18-2)5-10(14)13(9)19-3/h4-6H,7,15H2,1-3H3
InChIKeyPMZHJCXIQIFICB-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.96
Rot. Bonds4

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

3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117416917) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117416917
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1cc(F)c(OC)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C13H16FN3O2/c1-17-12(15)6-11(16-17)9-4-8(7-18-2)5-10(14)13(9)19-3/h4-6H,7,15H2,1-3H3
InChIKeyPMZHJCXIQIFICB-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

3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117499168
3-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117459276
3-(3-fluoro-2-methoxy-5-nitrophenyl)-1-methylpyrazol-5-amine
CID 117419260
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117370803
3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444295
3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418522
3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
CID 117375802
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375997
3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117370804

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117416917) is 3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1cc(F)c(OC)c(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is PMZHJCXIQIFICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-17-12(15)6-11(16-17)9-4-8(7-18-2)5-10(14)13(9)19-3/h4-6H,7,15H2,1-3H3.
What are the key properties of 3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
3-[3-fluoro-2-methoxy-5-(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 3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117416917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).