(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol

C15H19N3O — CID 125142936

IUPAC(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
SMILESO[C@H](CN1CCC[C@H]1c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C15H19N3O/c19-15(12-5-2-1-3-6-12)11-18-10-4-7-14(18)13-8-9-16-17-13/h1-3,5-6,8-9,14-15,19H,4,7,10-11H2,(H,16,17)/t14-,15+/m0/s1
InChIKeyYAEFWYVJXGABOQ-LSDHHAIUSA-N
MW257.34 g/mol
LogP2.28
Rot. Bonds4

About (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol

(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol (PubChem CID 125142936) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
PubChem CID125142936
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
SMILESO[C@H](CN1CCC[C@H]1c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C15H19N3O/c19-15(12-5-2-1-3-6-12)11-18-10-4-7-14(18)13-8-9-16-17-13/h1-3,5-6,8-9,14-15,19H,4,7,10-11H2,(H,16,17)/t14-,15+/m0/s1
InChIKeyYAEFWYVJXGABOQ-LSDHHAIUSA-N
XLogP2.28
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol (CID 125142936) is (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol is O[C@H](CN1CCC[C@H]1c1ccn[nH]1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol?
The InChIKey is YAEFWYVJXGABOQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(12-5-2-1-3-6-12)11-18-10-4-7-14(18)13-8-9-16-17-13/h1-3,5-6,8-9,14-15,19H,4,7,10-11H2,(H,16,17)/t14-,15+/m0/s1.
What are the key properties of (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol?
(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol has a molecular weight of 257.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 125142936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).