(1S)-1-(1-phenylpyrazol-4-yl)ethanol

C11H12N2O — CID 71756185

IUPAC(1S)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESC[C@H](O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H12N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-9,14H,1H3/t9-/m0/s1
InChIKeyWDRLPGXWBQXLPI-VIFPVBQESA-N
MW188.23 g/mol
LogP1.93
Rot. Bonds2

About (1S)-1-(1-phenylpyrazol-4-yl)ethanol

(1S)-1-(1-phenylpyrazol-4-yl)ethanol (PubChem CID 71756185) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (1S)-1-(1-phenylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-phenylpyrazol-4-yl)ethanol
PubChem CID71756185
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(1S)-1-(1-phenylpyrazol-4-yl)ethanol
SMILESC[C@H](O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H12N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-9,14H,1H3/t9-/m0/s1
InChIKeyWDRLPGXWBQXLPI-VIFPVBQESA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-1H-pyrazole-4-carboxylic acid
CID 121026
(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(2E)-3-(1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid
CID 7130993
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
(1-phenyl-1H-pyrazol-4-yl)methanol
CID 822983
(4-(1H-Pyrazol-1-yl)phenyl)methanol
CID 2776480
2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6484139
1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 822987
2-(1-phenyl-1H-pyrazol-5-yl)ethan-1-ol
CID 59410573
5-Methyl-1-phenyl-1H-pyrazole-4-methanol
CID 2776440
[1-(4-Fluorophenyl)-5-Methyl-1H-Pyrazol-4-Yl]Methanol
CID 2780717
(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
CID 740175

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-phenylpyrazol-4-yl)ethanol?
The IUPAC name of (1S)-1-(1-phenylpyrazol-4-yl)ethanol (CID 71756185) is (1S)-1-(1-phenylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-phenylpyrazol-4-yl)ethanol?
The canonical SMILES for (1S)-1-(1-phenylpyrazol-4-yl)ethanol is C[C@H](O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (1S)-1-(1-phenylpyrazol-4-yl)ethanol?
The InChIKey is WDRLPGXWBQXLPI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-9,14H,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(1-phenylpyrazol-4-yl)ethanol?
(1S)-1-(1-phenylpyrazol-4-yl)ethanol has a molecular weight of 188.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-phenylpyrazol-4-yl)ethanol is sourced from PubChem (CID 71756185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).