(1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride

C5H9ClN2O — CID 91662838

IUPAC(1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride
SMILESC[C@H](O)c1ccn[nH]1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-4(8)5-2-3-6-7-5;/h2-4,8H,1H3,(H,6,7);1H/t4-;/m0./s1
InChIKeyAHRGRESVJBNTQL-WCCKRBBISA-N
MW148.59 g/mol
LogP0.88
Rot. Bonds1

About (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride

(1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride (PubChem CID 91662838) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride
PubChem CID91662838
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name(1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride
SMILESC[C@H](O)c1ccn[nH]1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-4(8)5-2-3-6-7-5;/h2-4,8H,1H3,(H,6,7);1H/t4-;/m0./s1
InChIKeyAHRGRESVJBNTQL-WCCKRBBISA-N
XLogP0.88
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride?
The IUPAC name of (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride (CID 91662838) is (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride.
What is the SMILES notation for (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride?
The canonical SMILES for (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride is C[C@H](O)c1ccn[nH]1.Cl.
What is the InChIKey of (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride?
The InChIKey is AHRGRESVJBNTQL-WCCKRBBISA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c1-4(8)5-2-3-6-7-5;/h2-4,8H,1H3,(H,6,7);1H/t4-;/m0./s1.
What are the key properties of (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride?
(1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-pyrazol-5-yl)ethanol;hydrochloride is sourced from PubChem (CID 91662838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).