(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol

C11H13N3O — CID 96762406

IUPAC(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
SMILESNC[C@H](O)c1ccccc1-n1cccn1
InChIInChI=1S/C11H13N3O/c12-8-11(15)9-4-1-2-5-10(9)14-7-3-6-13-14/h1-7,11,15H,8,12H2/t11-/m0/s1
InChIKeyBAELXDMYIFLETH-NSHDSACASA-N
MW203.25 g/mol
LogP0.86
Rot. Bonds3

About (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol

(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol (PubChem CID 96762406) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
PubChem CID96762406
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol
SMILESNC[C@H](O)c1ccccc1-n1cccn1
InChIInChI=1S/C11H13N3O/c12-8-11(15)9-4-1-2-5-10(9)14-7-3-6-13-14/h1-7,11,15H,8,12H2/t11-/m0/s1
InChIKeyBAELXDMYIFLETH-NSHDSACASA-N
XLogP0.86
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(2-pyrazol-1-ylphenyl)acetate
CID 117367533
1-[2-[(2S,3R)-3-fluorobutan-2-yl]phenyl]pyrazole
CID 143730060
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 43284732
2-(2-pyrazol-1-ylphenyl)ethanamine
CID 63816747
N-propan-2-yl-2-[[(1S)-1-(2-pyrazol-1-ylphenyl)ethyl]amino]acetamide
CID 97085171
N-(2-phenylethyl)-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 71862790
2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 83823935
2-pyrazol-1-ylbenzenecarboximidamide;hydrochloride
CID 82240525
4-(2-pyrazol-1-ylphenyl)butan-1-amine
CID 117307081
2-(2-pyrazol-1-ylphenyl)propan-2-ol
CID 117290916
2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
CID 107441576

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol?
The IUPAC name of (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol (CID 96762406) is (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol is NC[C@H](O)c1ccccc1-n1cccn1.
What is the InChIKey of (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol?
The InChIKey is BAELXDMYIFLETH-NSHDSACASA-N. The full InChI is InChI=1S/C11H13N3O/c12-8-11(15)9-4-1-2-5-10(9)14-7-3-6-13-14/h1-7,11,15H,8,12H2/t11-/m0/s1.
What are the key properties of (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol?
(1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol has a molecular weight of 203.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(2-pyrazol-1-ylphenyl)ethanol is sourced from PubChem (CID 96762406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).