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

C13H16FN3O — CID 154976039

IUPAC2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol
SMILESCCn1nccc1NC(C)c1cc(F)ccc1O
InChIInChI=1S/C13H16FN3O/c1-3-17-13(6-7-15-17)16-9(2)11-8-10(14)4-5-12(11)18/h4-9,16,18H,3H2,1-2H3
InChIKeyDTVWOFWLOYJZJQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.92
Rot. Bonds4

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

2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol (PubChem CID 154976039) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol
PubChem CID154976039
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol
SMILESCCn1nccc1NC(C)c1cc(F)ccc1O
InChIInChI=1S/C13H16FN3O/c1-3-17-13(6-7-15-17)16-9(2)11-8-10(14)4-5-12(11)18/h4-9,16,18H,3H2,1-2H3
InChIKeyDTVWOFWLOYJZJQ-UHFFFAOYSA-N
XLogP2.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.92
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

1-(2-Methoxybenzyl)-1H-pyrazol-5-amine
CID 3161263
5-Fluoro-2-[[[3-(1-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807249
5-Fluoro-2-[[[3-(2-methylpyrazol-3-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807263
US12435089, Example 68
CID 155279097
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-hydroxyphenyl)methyl]urea
CID 53544990
N-(2-cyclohexylpyrazol-3-yl)-2,4-difluoro-6-hydroxybenzamide
CID 71883418
5-(2-Methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4768395
2-[4,4-difluoro-1-(1H-pyrazol-5-yl)pyrrolidin-2-yl]-4-fluorophenol
CID 67471082
2-[5-Amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol
CID 91498903
5-Fluoro-2-[5-(2-fluoroanilino)-1,3-dimethylpyrazol-4-yl]phenol
CID 132051472
3-Fluoro-5-(1-methylpyrazol-4-yl)-2-[6-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 142747405
4-fluoro-2-[2-(1H-pyrazol-5-ylamino)ethyl]phenol
CID 142800960

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol?
The IUPAC name of 2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol (CID 154976039) is 2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol.
What is the SMILES notation for 2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol?
The canonical SMILES for 2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol is CCn1nccc1NC(C)c1cc(F)ccc1O.
What is the InChIKey of 2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol?
The InChIKey is DTVWOFWLOYJZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-17-13(6-7-15-17)16-9(2)11-8-10(14)4-5-12(11)18/h4-9,16,18H,3H2,1-2H3.
What are the key properties of 2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol?
2-[1-[(2-ethylpyrazol-3-yl)amino]ethyl]-4-fluorophenol has a molecular weight of 249.29 g/mol, XLogP of 2.92, 4 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]ethyl]-4-fluorophenol is sourced from PubChem (CID 154976039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).