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

C13H17N3O — CID 58705225

IUPAC2-(5-amino-3-tert-butylpyrazol-1-yl)phenol
SMILESCC(C)(C)c1cc(N)n(-c2ccccc2O)n1
InChIInChI=1S/C13H17N3O/c1-13(2,3)11-8-12(14)16(15-11)9-6-4-5-7-10(9)17/h4-8,17H,14H2,1-3H3
InChIKeyMOSZMQYLEJOZQJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.46
Rot. Bonds1

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

2-(5-amino-3-tert-butylpyrazol-1-yl)phenol (PubChem CID 58705225) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(5-amino-3-tert-butylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-(5-amino-3-tert-butylpyrazol-1-yl)phenol
PubChem CID58705225
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(5-amino-3-tert-butylpyrazol-1-yl)phenol
SMILESCC(C)(C)c1cc(N)n(-c2ccccc2O)n1
InChIInChI=1S/C13H17N3O/c1-13(2,3)11-8-12(14)16(15-11)9-6-4-5-7-10(9)17/h4-8,17H,14H2,1-3H3
InChIKeyMOSZMQYLEJOZQJ-UHFFFAOYSA-N
XLogP2.46
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)phenol?
The IUPAC name of 2-(5-amino-3-tert-butylpyrazol-1-yl)phenol (CID 58705225) is 2-(5-amino-3-tert-butylpyrazol-1-yl)phenol.
What is the SMILES notation for 2-(5-amino-3-tert-butylpyrazol-1-yl)phenol?
The canonical SMILES for 2-(5-amino-3-tert-butylpyrazol-1-yl)phenol is CC(C)(C)c1cc(N)n(-c2ccccc2O)n1.
What is the InChIKey of 2-(5-amino-3-tert-butylpyrazol-1-yl)phenol?
The InChIKey is MOSZMQYLEJOZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,3)11-8-12(14)16(15-11)9-6-4-5-7-10(9)17/h4-8,17H,14H2,1-3H3.
What are the key properties of 2-(5-amino-3-tert-butylpyrazol-1-yl)phenol?
2-(5-amino-3-tert-butylpyrazol-1-yl)phenol has a molecular weight of 231.30 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-tert-butylpyrazol-1-yl)phenol is sourced from PubChem (CID 58705225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).