2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol

C11H12FN3O — CID 112606404

IUPAC2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
SMILESCn1cc(NCc2cccc(F)c2O)cn1
InChIInChI=1S/C11H12FN3O/c1-15-7-9(6-14-15)13-5-8-3-2-4-10(12)11(8)16/h2-4,6-7,13,16H,5H2,1H3
InChIKeyHZHSKPPDRSPFPB-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.88
Rot. Bonds3

About 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol

2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol (PubChem CID 112606404) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
PubChem CID112606404
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
SMILESCn1cc(NCc2cccc(F)c2O)cn1
InChIInChI=1S/C11H12FN3O/c1-15-7-9(6-14-15)13-5-8-3-2-4-10(12)11(8)16/h2-4,6-7,13,16H,5H2,1H3
InChIKeyHZHSKPPDRSPFPB-UHFFFAOYSA-N
XLogP1.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.88
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 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol (CID 112606404) is 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol is Cn1cc(NCc2cccc(F)c2O)cn1.
What is the InChIKey of 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
The InChIKey is HZHSKPPDRSPFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-7-9(6-14-15)13-5-8-3-2-4-10(12)11(8)16/h2-4,6-7,13,16H,5H2,1H3.
What are the key properties of 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol?
2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol has a molecular weight of 221.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[(1-methylpyrazol-4-yl)amino]methyl]phenol is sourced from PubChem (CID 112606404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).