(1R)-1-phenyl-2-pyrazol-1-ylethanol

C11H12N2O — CID 712326

IUPAC(1R)-1-phenyl-2-pyrazol-1-ylethanol
SMILESO[C@@H](Cn1cccn1)c1ccccc1
InChIInChI=1S/C11H12N2O/c14-11(9-13-8-4-7-12-13)10-5-2-1-3-6-10/h1-8,11,14H,9H2/t11-/m0/s1
InChIKeyBAOSEPHEMSBKSA-NSHDSACASA-N
MW188.23 g/mol
LogP1.62
Rot. Bonds3

About (1R)-1-phenyl-2-pyrazol-1-ylethanol

(1R)-1-phenyl-2-pyrazol-1-ylethanol (PubChem CID 712326) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (1R)-1-phenyl-2-pyrazol-1-ylethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-2-pyrazol-1-ylethanol
PubChem CID712326
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(1R)-1-phenyl-2-pyrazol-1-ylethanol
SMILESO[C@@H](Cn1cccn1)c1ccccc1
InChIInChI=1S/C11H12N2O/c14-11(9-13-8-4-7-12-13)10-5-2-1-3-6-10/h1-8,11,14H,9H2/t11-/m0/s1
InChIKeyBAOSEPHEMSBKSA-NSHDSACASA-N
XLogP1.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(aminomethyl)phenyl]-2-pyrazol-1-ylethanol
CID 43531433
(2S)-1-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 95601884
(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol
CID 51669163
(2R)-1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94393943
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828
methyl 2-phenyl-3-pyrazol-1-ylpropanoate
CID 64567255
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
CID 93276656
2-(1-amino-2-pyrazol-1-ylethyl)phenol
CID 16641636
1-phenyl-2-(4-pyrazol-1-ylpiperidin-1-yl)ethanol
CID 111110310
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
CID 166406989

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-pyrazol-1-ylethanol?
The IUPAC name of (1R)-1-phenyl-2-pyrazol-1-ylethanol (CID 712326) is (1R)-1-phenyl-2-pyrazol-1-ylethanol.
What is the SMILES notation for (1R)-1-phenyl-2-pyrazol-1-ylethanol?
The canonical SMILES for (1R)-1-phenyl-2-pyrazol-1-ylethanol is O[C@@H](Cn1cccn1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-2-pyrazol-1-ylethanol?
The InChIKey is BAOSEPHEMSBKSA-NSHDSACASA-N. The full InChI is InChI=1S/C11H12N2O/c14-11(9-13-8-4-7-12-13)10-5-2-1-3-6-10/h1-8,11,14H,9H2/t11-/m0/s1.
What are the key properties of (1R)-1-phenyl-2-pyrazol-1-ylethanol?
(1R)-1-phenyl-2-pyrazol-1-ylethanol has a molecular weight of 188.23 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-pyrazol-1-ylethanol is sourced from PubChem (CID 712326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).