(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol

C13H17N3O — CID 107862495

IUPAC(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
SMILESCC(N[C@@H](CO)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C13H17N3O/c1-10(12-7-8-14-16-12)15-13(9-17)11-5-3-2-4-6-11/h2-8,10,13,15,17H,9H2,1H3,(H,14,16)/t10?,13-/m0/s1
InChIKeyDNBNNWBEBWEKSK-HQVZTVAUSA-N
MW231.30 g/mol
LogP1.79
Rot. Bonds5

About (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol

(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol (PubChem CID 107862495) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
PubChem CID107862495
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol
SMILESCC(N[C@@H](CO)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C13H17N3O/c1-10(12-7-8-14-16-12)15-13(9-17)11-5-3-2-4-6-11/h2-8,10,13,15,17H,9H2,1H3,(H,14,16)/t10?,13-/m0/s1
InChIKeyDNBNNWBEBWEKSK-HQVZTVAUSA-N
XLogP1.79
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 60971551
(2S)-3-methyl-2-[1-(1H-pyrazol-5-yl)ethylamino]butan-1-ol
CID 79253582
2-ethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 60971934
2-[1-(4-fluorophenyl)ethylamino]-2-phenylethanol
CID 55158651
(2R)-2-[1-(3-methylpyrazin-2-yl)ethylamino]-2-phenylethanol
CID 102612924
2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 63182762
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269
(1R)-1-(3-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81371761

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol (CID 107862495) is (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol is CC(N[C@@H](CO)c1ccccc1)c1ccn[nH]1.
What is the InChIKey of (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol?
The InChIKey is DNBNNWBEBWEKSK-HQVZTVAUSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(12-7-8-14-16-12)15-13(9-17)11-5-3-2-4-6-11/h2-8,10,13,15,17H,9H2,1H3,(H,14,16)/t10?,13-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol?
(2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[1-(1H-pyrazol-5-yl)ethylamino]ethanol is sourced from PubChem (CID 107862495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).