(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol

C15H21N3O — CID 107862266

IUPAC(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
SMILESCCCn1nccc1CN[C@H](CO)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-2-10-18-14(8-9-17-18)11-16-15(12-19)13-6-4-3-5-7-13/h3-9,15-16,19H,2,10-12H2,1H3/t15-/m1/s1
InChIKeyAMYTXRFQNBUHNF-OAHLLOKOSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds7

About (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol

(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol (PubChem CID 107862266) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
PubChem CID107862266
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
SMILESCCCn1nccc1CN[C@H](CO)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-2-10-18-14(8-9-17-18)11-16-15(12-19)13-6-4-3-5-7-13/h3-9,15-16,19H,2,10-12H2,1H3/t15-/m1/s1
InChIKeyAMYTXRFQNBUHNF-OAHLLOKOSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114554849
(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
(2S)-3-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 107862442
(2R)-2-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 104939501
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
CID 114555438
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
4-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 114555939
2-[(2-ethylpyrazol-3-yl)methylamino]-2-phenylacetic acid
CID 114555699
(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
CID 113257729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol?
The IUPAC name of (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol (CID 107862266) is (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol?
The canonical SMILES for (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol is CCCn1nccc1CN[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol?
The InChIKey is AMYTXRFQNBUHNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-10-18-14(8-9-17-18)11-16-15(12-19)13-6-4-3-5-7-13/h3-9,15-16,19H,2,10-12H2,1H3/t15-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol?
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol is sourced from PubChem (CID 107862266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).