5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol

C12H14FN3O — CID 63064090

IUPAC5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
SMILESCC(Nc1cnn(C)c1)c1ccc(F)cc1O
InChIInChI=1S/C12H14FN3O/c1-8(15-10-6-14-16(2)7-10)11-4-3-9(13)5-12(11)17/h3-8,15,17H,1-2H3
InChIKeyWCPPJRCWQCHANX-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.44
Rot. Bonds3

About 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol

5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol (PubChem CID 63064090) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
PubChem CID63064090
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
SMILESCC(Nc1cnn(C)c1)c1ccc(F)cc1O
InChIInChI=1S/C12H14FN3O/c1-8(15-10-6-14-16(2)7-10)11-4-3-9(13)5-12(11)17/h3-8,15,17H,1-2H3
InChIKeyWCPPJRCWQCHANX-UHFFFAOYSA-N
XLogP2.44
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol (CID 63064090) is 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol is CC(Nc1cnn(C)c1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol?
The InChIKey is WCPPJRCWQCHANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8(15-10-6-14-16(2)7-10)11-4-3-9(13)5-12(11)17/h3-8,15,17H,1-2H3.
What are the key properties of 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol?
5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol has a molecular weight of 235.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 63064090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).