2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol

C15H21N3O — CID 136963399

IUPAC2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(-c2cc(N)n(C)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H21N3O/c1-9-6-10(12-8-13(16)18(5)17-12)14(19)11(7-9)15(2,3)4/h6-8,19H,16H2,1-5H3
InChIKeyBKGSNOMRTYKNQQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.98
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol

2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol (PubChem CID 136963399) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol
PubChem CID136963399
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol
SMILESCc1cc(-c2cc(N)n(C)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H21N3O/c1-9-6-10(12-8-13(16)18(5)17-12)14(19)11(7-9)15(2,3)4/h6-8,19H,16H2,1-5H3
InChIKeyBKGSNOMRTYKNQQ-UHFFFAOYSA-N
XLogP2.98
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
CID 117315527
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117382584

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol (CID 136963399) is 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol is Cc1cc(-c2cc(N)n(C)n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol?
The InChIKey is BKGSNOMRTYKNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9-6-10(12-8-13(16)18(5)17-12)14(19)11(7-9)15(2,3)4/h6-8,19H,16H2,1-5H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol?
2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol has a molecular weight of 259.35 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol is sourced from PubChem (CID 136963399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).