2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol

C14H18FN3O — CID 56705864

IUPAC2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol
SMILESCCN(CCn1cccn1)Cc1cc(F)ccc1O
InChIInChI=1S/C14H18FN3O/c1-2-17(8-9-18-7-3-6-16-18)11-12-10-13(15)4-5-14(12)19/h3-7,10,19H,2,8-9,11H2,1H3
InChIKeyQYWCWBDHHQOZCM-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.25
Rot. Bonds6

About 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol

2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol (PubChem CID 56705864) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol
PubChem CID56705864
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol
SMILESCCN(CCn1cccn1)Cc1cc(F)ccc1O
InChIInChI=1S/C14H18FN3O/c1-2-17(8-9-18-7-3-6-16-18)11-12-10-13(15)4-5-14(12)19/h3-7,10,19H,2,8-9,11H2,1H3
InChIKeyQYWCWBDHHQOZCM-UHFFFAOYSA-N
XLogP2.25
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
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-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol?
The IUPAC name of 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol (CID 56705864) is 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol is CCN(CCn1cccn1)Cc1cc(F)ccc1O.
What is the InChIKey of 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol?
The InChIKey is QYWCWBDHHQOZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-2-17(8-9-18-7-3-6-16-18)11-12-10-13(15)4-5-14(12)19/h3-7,10,19H,2,8-9,11H2,1H3.
What are the key properties of 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol?
2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol has a molecular weight of 263.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-4-fluorophenol is sourced from PubChem (CID 56705864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).