5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol

C14H19N3O — CID 22972803

IUPAC5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2N)cc1O
InChIInChI=1S/C14H19N3O/c1-9-5-6-10(7-11(9)18)17-13(15)8-12(16-17)14(2,3)4/h5-8,18H,15H2,1-4H3
InChIKeyDHZPCIBOHRFCBB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.77
Rot. Bonds1

About 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol

5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol (PubChem CID 22972803) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol.

Molecular Properties

Compound Name5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol
PubChem CID22972803
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2N)cc1O
InChIInChI=1S/C14H19N3O/c1-9-5-6-10(7-11(9)18)17-13(15)8-12(16-17)14(2,3)4/h5-8,18H,15H2,1-4H3
InChIKeyDHZPCIBOHRFCBB-UHFFFAOYSA-N
XLogP2.77
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol?
The IUPAC name of 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol (CID 22972803) is 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol.
What is the SMILES notation for 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol?
The canonical SMILES for 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol is Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1O.
What is the InChIKey of 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol?
The InChIKey is DHZPCIBOHRFCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-5-6-10(7-11(9)18)17-13(15)8-12(16-17)14(2,3)4/h5-8,18H,15H2,1-4H3.
What are the key properties of 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol?
5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol has a molecular weight of 245.33 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol is sourced from PubChem (CID 22972803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).