2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol

C14H18FN3O — CID 64831314

IUPAC2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2ccccc2F)cn1
InChIInChI=1S/C14H18FN3O/c15-14-4-2-1-3-13(14)5-6-16-9-12-10-17-18(11-12)7-8-19/h1-4,10-11,16,19H,5-9H2
InChIKeyCQPICEYKMZCFNS-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.35
Rot. Bonds7

About 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64831314) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64831314
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCCc2ccccc2F)cn1
InChIInChI=1S/C14H18FN3O/c15-14-4-2-1-3-13(14)5-6-16-9-12-10-17-18(11-12)7-8-19/h1-4,10-11,16,19H,5-9H2
InChIKeyCQPICEYKMZCFNS-UHFFFAOYSA-N
XLogP1.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
2-[4-[(2-fluoroanilino)methyl]pyrazol-1-yl]ethanol
CID 64829351
2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43824526
2-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64828771
N-[[1-(4-bromophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 112839320
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine
CID 122168597
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126967136
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol (CID 64831314) is 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNCCc2ccccc2F)cn1.
What is the InChIKey of 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is CQPICEYKMZCFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-14-4-2-1-3-13(14)5-6-16-9-12-10-17-18(11-12)7-8-19/h1-4,10-11,16,19H,5-9H2.
What are the key properties of 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 263.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64831314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).