2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol

C14H18FN3O — CID 154976027

IUPAC2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol
SMILESCCC(Nc1ccnn1CC)c1cc(F)ccc1O
InChIInChI=1S/C14H18FN3O/c1-3-12(11-9-10(15)5-6-13(11)19)17-14-7-8-16-18(14)4-2/h5-9,12,17,19H,3-4H2,1-2H3
InChIKeyKCUHQMLJDOJGSB-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.31
Rot. Bonds5

About 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol

2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol (PubChem CID 154976027) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol
PubChem CID154976027
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol
SMILESCCC(Nc1ccnn1CC)c1cc(F)ccc1O
InChIInChI=1S/C14H18FN3O/c1-3-12(11-9-10(15)5-6-13(11)19)17-14-7-8-16-18(14)4-2/h5-9,12,17,19H,3-4H2,1-2H3
InChIKeyKCUHQMLJDOJGSB-UHFFFAOYSA-N
XLogP3.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.31
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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Related Compounds

4-bromo-2-[1-(4-fluoroanilino)propyl]phenol
CID 43194665
4-bromo-2-[1-(2,4-difluoroanilino)propyl]phenol
CID 43110575
4-fluoro-2-(1-hydroxypropyl)phenol
CID 82268240
2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
CID 43730084
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-4-fluorophenol
CID 97050884
(2-ethylpyrazol-3-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63976113
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
4-bromo-2-[1-[(3-fluorophenyl)methylamino]propyl]phenol
CID 43123237
N-[(2-ethylpyrazol-3-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63976818
2-(1,2-diaminobutyl)-4-fluorophenol
CID 130898716
2-ethyl-N-propan-2-ylpyrazol-3-amine;2-ethylpyrazol-3-amine;2-methylpropane
CID 159006628

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol?
The IUPAC name of 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol (CID 154976027) is 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol.
What is the SMILES notation for 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol?
The canonical SMILES for 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol is CCC(Nc1ccnn1CC)c1cc(F)ccc1O.
What is the InChIKey of 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol?
The InChIKey is KCUHQMLJDOJGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-12(11-9-10(15)5-6-13(11)19)17-14-7-8-16-18(14)4-2/h5-9,12,17,19H,3-4H2,1-2H3.
What are the key properties of 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol?
2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol has a molecular weight of 263.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethylpyrazol-3-yl)amino]propyl]-4-fluorophenol is sourced from PubChem (CID 154976027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).