4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole

C16H19N5 — CID 95206657

IUPAC4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole
SMILESC[C@@H](Cn1cccn1)n1cc(CCc2ccccc2)nn1
InChIInChI=1S/C16H19N5/c1-14(12-20-11-5-10-17-20)21-13-16(18-19-21)9-8-15-6-3-2-4-7-15/h2-7,10-11,13-14H,8-9,12H2,1H3/t14-/m0/s1
InChIKeyQXAIDMRYDXGRFJ-AWEZNQCLSA-N
MW281.36 g/mol
LogP2.52
Rot. Bonds6

About 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole

4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole (PubChem CID 95206657) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole.

Molecular Properties

Compound Name4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole
PubChem CID95206657
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole
SMILESC[C@@H](Cn1cccn1)n1cc(CCc2ccccc2)nn1
InChIInChI=1S/C16H19N5/c1-14(12-20-11-5-10-17-20)21-13-16(18-19-21)9-8-15-6-3-2-4-7-15/h2-7,10-11,13-14H,8-9,12H2,1H3/t14-/m0/s1
InChIKeyQXAIDMRYDXGRFJ-AWEZNQCLSA-N
XLogP2.52
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-dodecyl-4-(2-phenylethyl)triazole
CID 56666794
1-benzyl-4-(2-phenylethyl)triazole
CID 56666792
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
CID 112717132
1-benzyl-4-(pyrazol-1-ylmethyl)triazole
CID 102307082
(2S)-1-[methyl(3-phenylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 94174337
1-[4-[4-(2-phenylethyl)triazol-1-yl]phenyl]propan-1-amine
CID 70668600
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
1-butan-2-yl-4-ethyltriazole
CID 138568192
2-methyl-1-(2-methyl-3-pyrazol-1-ylpropyl)-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111171988
4-(2-chloroethyl)-1-(2-phenylethyl)triazole
CID 62401597
methyl (2S)-3-phenyl-2-(4-propyltriazol-1-yl)propanoate
CID 102385646
1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 60501287

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole?
The IUPAC name of 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole (CID 95206657) is 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole.
What is the SMILES notation for 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole?
The canonical SMILES for 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole is C[C@@H](Cn1cccn1)n1cc(CCc2ccccc2)nn1.
What is the InChIKey of 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole?
The InChIKey is QXAIDMRYDXGRFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N5/c1-14(12-20-11-5-10-17-20)21-13-16(18-19-21)9-8-15-6-3-2-4-7-15/h2-7,10-11,13-14H,8-9,12H2,1H3/t14-/m0/s1.
What are the key properties of 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole?
4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole has a molecular weight of 281.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1-[(2S)-1-pyrazol-1-ylpropan-2-yl]triazole is sourced from PubChem (CID 95206657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).