2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol

C14H18FN3O — CID 64795020

IUPAC2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol
SMILESCc1nn(C)c(C)c1C(C)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-8(14-9(2)17-18(4)10(14)3)16-11-5-6-13(19)12(15)7-11/h5-8,16,19H,1-4H3
InChIKeyGMCKFILWPPMYDG-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.05
Rot. Bonds3

About 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol

2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol (PubChem CID 64795020) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol
PubChem CID64795020
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol
SMILESCc1nn(C)c(C)c1C(C)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H18FN3O/c1-8(14-9(2)17-18(4)10(14)3)16-11-5-6-13(19)12(15)7-11/h5-8,16,19H,1-4H3
InChIKeyGMCKFILWPPMYDG-UHFFFAOYSA-N
XLogP3.05
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
CID 107711014
(2S)-N-(3-fluoro-4-methylsulfanylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95777399
N-[(2,5-difluorophenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 63379067
2-(3-fluorophenyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 95588665
N-[2-(3,5-difluorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 62604425
4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
CID 82774122
(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105078402
3-chloro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]benzonitrile
CID 107807356
2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 107678355
N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204509
4-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-fluorophenol
CID 64792600
3,5-dibromo-4-hydroxy-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 154751403

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol?
The IUPAC name of 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol (CID 64795020) is 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol?
The canonical SMILES for 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol is Cc1nn(C)c(C)c1C(C)Nc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol?
The InChIKey is GMCKFILWPPMYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-8(14-9(2)17-18(4)10(14)3)16-11-5-6-13(19)12(15)7-11/h5-8,16,19H,1-4H3.
What are the key properties of 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol?
2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol has a molecular weight of 263.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]phenol is sourced from PubChem (CID 64795020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).