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

C13H17N3O2 — CID 117370804

IUPAC3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccc(OC)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C13H17N3O2/c1-16-13(14)7-12(15-16)11-6-10(18-3)5-4-9(11)8-17-2/h4-7H,8,14H2,1-3H3
InChIKeyOLOFBNDXTPYNGN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.82
Rot. Bonds4

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

3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117370804) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117370804
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCOCc1ccc(OC)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C13H17N3O2/c1-16-13(14)7-12(15-16)11-6-10(18-3)5-4-9(11)8-17-2/h4-7H,8,14H2,1-3H3
InChIKeyOLOFBNDXTPYNGN-UHFFFAOYSA-N
XLogP1.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107760
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117499168
3-(5-chloro-2-ethyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418518
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375997
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476523
4-[5-bromo-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117477168

Frequently Asked Questions

What is the IUPAC name of 3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine (CID 117370804) is 3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is COCc1ccc(OC)cc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is OLOFBNDXTPYNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-13(14)7-12(15-16)11-6-10(18-3)5-4-9(11)8-17-2/h4-7H,8,14H2,1-3H3.
What are the key properties of 3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine?
3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117370804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).