3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol

C12H15N3O3 — CID 117375802

IUPAC3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)cc(-c2cc(N)n(C)n2)c1OC
InChIInChI=1S/C12H15N3O3/c1-15-11(13)6-9(14-15)8-4-7(16)5-10(17-2)12(8)18-3/h4-6,16H,13H2,1-3H3
InChIKeyKCVYKYUILIUFIK-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.39
Rot. Bonds3

About 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol

3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol (PubChem CID 117375802) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
PubChem CID117375802
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)cc(-c2cc(N)n(C)n2)c1OC
InChIInChI=1S/C12H15N3O3/c1-15-11(13)6-9(14-15)8-4-7(16)5-10(17-2)12(8)18-3/h4-6,16H,13H2,1-3H3
InChIKeyKCVYKYUILIUFIK-UHFFFAOYSA-N
XLogP1.39
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxybenzoate
CID 117470471
3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117455221
4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
3-[3,4-dimethoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117444295
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416917
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658
3-(3-chloro-5-ethyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117418522
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117476523

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol?
The IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol (CID 117375802) is 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol is COc1cc(O)cc(-c2cc(N)n(C)n2)c1OC.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol?
The InChIKey is KCVYKYUILIUFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15-11(13)6-9(14-15)8-4-7(16)5-10(17-2)12(8)18-3/h4-6,16H,13H2,1-3H3.
What are the key properties of 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol?
3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol has a molecular weight of 249.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-3-yl)-4,5-dimethoxyphenol is sourced from PubChem (CID 117375802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).