2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol

C11H13N3O — CID 117291763

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C11H13N3O/c1-7-3-4-10(15)8(5-7)9-6-13-14(2)11(9)12/h3-6,15H,12H2,1-2H3
InChIKeyLRYZMRVTIAZQBY-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.68
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol

2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol (PubChem CID 117291763) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
PubChem CID117291763
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
SMILESCc1ccc(O)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C11H13N3O/c1-7-3-4-10(15)8(5-7)9-6-13-14(2)11(9)12/h3-6,15H,12H2,1-2H3
InChIKeyLRYZMRVTIAZQBY-UHFFFAOYSA-N
XLogP1.68
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol (CID 117291763) is 2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol is Cc1ccc(O)c(-c2cnn(C)c2N)c1.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol?
The InChIKey is LRYZMRVTIAZQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-3-4-10(15)8(5-7)9-6-13-14(2)11(9)12/h3-6,15H,12H2,1-2H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol?
2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol has a molecular weight of 203.24 g/mol, XLogP of 1.68, 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-4-yl)-4-methylphenol is sourced from PubChem (CID 117291763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).