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

C11H13N3OS — CID 117342713

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol
SMILESCSc1ccc(-c2cnn(C)c2N)c(O)c1
InChIInChI=1S/C11H13N3OS/c1-14-11(12)9(6-13-14)8-4-3-7(16-2)5-10(8)15/h3-6,15H,12H2,1-2H3
InChIKeyRSPTYFUZHSEFIF-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.10
Rot. Bonds2

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

2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol (PubChem CID 117342713) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol
PubChem CID117342713
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol
SMILESCSc1ccc(-c2cnn(C)c2N)c(O)c1
InChIInChI=1S/C11H13N3OS/c1-14-11(12)9(6-13-14)8-4-3-7(16-2)5-10(8)15/h3-6,15H,12H2,1-2H3
InChIKeyRSPTYFUZHSEFIF-UHFFFAOYSA-N
XLogP2.10
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol (CID 117342713) is 2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol is CSc1ccc(-c2cnn(C)c2N)c(O)c1.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol?
The InChIKey is RSPTYFUZHSEFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-14-11(12)9(6-13-14)8-4-3-7(16-2)5-10(8)15/h3-6,15H,12H2,1-2H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol?
2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol has a molecular weight of 235.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-5-methylsulfanylphenol is sourced from PubChem (CID 117342713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).