2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol

C17H25N3O — CID 14373753

IUPAC2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol
SMILESCC(C)(C)c1cc(Nc2ccn[nH]2)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H25N3O/c1-16(2,3)12-9-11(19-14-7-8-18-20-14)10-13(15(12)21)17(4,5)6/h7-10,21H,1-6H3,(H2,18,19,20)
InChIKeyHNPIRKRZJWOCRO-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.45
Rot. Bonds2

About 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol

2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol (PubChem CID 14373753) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol
PubChem CID14373753
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol
SMILESCC(C)(C)c1cc(Nc2ccn[nH]2)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H25N3O/c1-16(2,3)12-9-11(19-14-7-8-18-20-14)10-13(15(12)21)17(4,5)6/h7-10,21H,1-6H3,(H2,18,19,20)
InChIKeyHNPIRKRZJWOCRO-UHFFFAOYSA-N
XLogP4.45
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol?
The IUPAC name of 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol (CID 14373753) is 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol?
The canonical SMILES for 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol is CC(C)(C)c1cc(Nc2ccn[nH]2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol?
The InChIKey is HNPIRKRZJWOCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-16(2,3)12-9-11(19-14-7-8-18-20-14)10-13(15(12)21)17(4,5)6/h7-10,21H,1-6H3,(H2,18,19,20).
What are the key properties of 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol?
2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol has a molecular weight of 287.41 g/mol, XLogP of 4.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(1H-pyrazol-5-ylamino)phenol is sourced from PubChem (CID 14373753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).