3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol

C12H15N3O — CID 117309663

IUPAC3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
SMILESCc1ccc(-c2cc(N)n(C)n2)c(C)c1O
InChIInChI=1S/C12H15N3O/c1-7-4-5-9(8(2)12(7)16)10-6-11(13)15(3)14-10/h4-6,16H,13H2,1-3H3
InChIKeyWBQXLWNDFGULEW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.99
Rot. Bonds1

About 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol

3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol (PubChem CID 117309663) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
PubChem CID117309663
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
SMILESCc1ccc(-c2cc(N)n(C)n2)c(C)c1O
InChIInChI=1S/C12H15N3O/c1-7-4-5-9(8(2)12(7)16)10-6-11(13)15(3)14-10/h4-6,16H,13H2,1-3H3
InChIKeyWBQXLWNDFGULEW-UHFFFAOYSA-N
XLogP1.99
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol
CID 136942179
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
1-methyl-3-(4-methyl-1,3-benzodioxol-5-yl)pyrazol-5-amine
CID 117334125
5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol
CID 136968549
2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,4-dimethylphenol
CID 136942186
2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol
CID 136963399
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986
3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
CID 117315527
4-(5-amino-1-methylpyrazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 137003446
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol?
The IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol (CID 117309663) is 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol is Cc1ccc(-c2cc(N)n(C)n2)c(C)c1O.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol?
The InChIKey is WBQXLWNDFGULEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-4-5-9(8(2)12(7)16)10-6-11(13)15(3)14-10/h4-6,16H,13H2,1-3H3.
What are the key properties of 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol?
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol has a molecular weight of 217.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol is sourced from PubChem (CID 117309663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).