2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol

C12H15N3O — CID 117309642

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2cnn(C)c2N)cc1C
InChIInChI=1S/C12H15N3O/c1-7-4-9(11(16)5-8(7)2)10-6-14-15(3)12(10)13/h4-6,16H,13H2,1-3H3
InChIKeyRXNXRXIYLCRKFN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.99
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol

2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol (PubChem CID 117309642) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
PubChem CID117309642
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2cnn(C)c2N)cc1C
InChIInChI=1S/C12H15N3O/c1-7-4-9(11(16)5-8(7)2)10-6-14-15(3)12(10)13/h4-6,16H,13H2,1-3H3
InChIKeyRXNXRXIYLCRKFN-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol (CID 117309642) is 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol is Cc1cc(O)c(-c2cnn(C)c2N)cc1C.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol?
The InChIKey is RXNXRXIYLCRKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-4-9(11(16)5-8(7)2)10-6-14-15(3)12(10)13/h4-6,16H,13H2,1-3H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol?
2-(5-amino-1-methylpyrazol-4-yl)-4,5-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 2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol is sourced from PubChem (CID 117309642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).