4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol

C14H18FN3O — CID 64792775

IUPAC4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol
SMILESCC(C)(C)n1cc(CNc2ccc(O)c(F)c2)cn1
InChIInChI=1S/C14H18FN3O/c1-14(2,3)18-9-10(8-17-18)7-16-11-4-5-13(19)12(15)6-11/h4-6,8-9,16,19H,7H2,1-3H3
InChIKeyUPZAGODOEYTNNF-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.09
Rot. Bonds3

About 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol

4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol (PubChem CID 64792775) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol
PubChem CID64792775
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol
SMILESCC(C)(C)n1cc(CNc2ccc(O)c(F)c2)cn1
InChIInChI=1S/C14H18FN3O/c1-14(2,3)18-9-10(8-17-18)7-16-11-4-5-13(19)12(15)6-11/h4-6,8-9,16,19H,7H2,1-3H3
InChIKeyUPZAGODOEYTNNF-UHFFFAOYSA-N
XLogP3.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol?
The IUPAC name of 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol (CID 64792775) is 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol.
What is the SMILES notation for 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol?
The canonical SMILES for 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol is CC(C)(C)n1cc(CNc2ccc(O)c(F)c2)cn1.
What is the InChIKey of 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol?
The InChIKey is UPZAGODOEYTNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-14(2,3)18-9-10(8-17-18)7-16-11-4-5-13(19)12(15)6-11/h4-6,8-9,16,19H,7H2,1-3H3.
What are the key properties of 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol?
4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol has a molecular weight of 263.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-tert-butylpyrazol-4-yl)methylamino]-2-fluorophenol is sourced from PubChem (CID 64792775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).