(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol

C15H21N3O — CID 103788757

IUPAC(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
SMILESCCn1cc(C(C)N[C@@H](CO)c2ccccc2)cn1
InChIInChI=1S/C15H21N3O/c1-3-18-10-14(9-16-18)12(2)17-15(11-19)13-7-5-4-6-8-13/h4-10,12,15,17,19H,3,11H2,1-2H3/t12?,15-/m0/s1
InChIKeyIAJIOQCDETWLEG-CVRLYYSRSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds6

About (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol

(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol (PubChem CID 103788757) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
PubChem CID103788757
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol
SMILESCCn1cc(C(C)N[C@@H](CO)c2ccccc2)cn1
InChIInChI=1S/C15H21N3O/c1-3-18-10-14(9-16-18)12(2)17-15(11-19)13-7-5-4-6-8-13/h4-10,12,15,17,19H,3,11H2,1-2H3/t12?,15-/m0/s1
InChIKeyIAJIOQCDETWLEG-CVRLYYSRSA-N
XLogP2.29
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
CID 63012963
(1R)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404494
3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 81338161
(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360333
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
(2R)-2-[1-(3-methylpyrazin-2-yl)ethylamino]-2-phenylethanol
CID 102612924
(2S)-2-[1-(4-ethoxyphenyl)ethylamino]-2-phenylethanol
CID 103784132
(2S)-2-[1-(4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103784104
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol (CID 103788757) is (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol is CCn1cc(C(C)N[C@@H](CO)c2ccccc2)cn1.
What is the InChIKey of (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol?
The InChIKey is IAJIOQCDETWLEG-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-18-10-14(9-16-18)12(2)17-15(11-19)13-7-5-4-6-8-13/h4-10,12,15,17,19H,3,11H2,1-2H3/t12?,15-/m0/s1.
What are the key properties of (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol?
(2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol has a molecular weight of 259.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 103788757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).