(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol

C14H19N3O — CID 103851995

IUPAC(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol
SMILESCc1c(CN[C@@H](CO)c2ccccc2)cnn1C
InChIInChI=1S/C14H19N3O/c1-11-13(9-16-17(11)2)8-15-14(10-18)12-6-4-3-5-7-12/h3-7,9,14-15,18H,8,10H2,1-2H3/t14-/m0/s1
InChIKeyAUNYXVXEYUAKKU-AWEZNQCLSA-N
MW245.33 g/mol
LogP1.55
Rot. Bonds5

About (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol

(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol (PubChem CID 103851995) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol
PubChem CID103851995
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol
SMILESCc1c(CN[C@@H](CO)c2ccccc2)cnn1C
InChIInChI=1S/C14H19N3O/c1-11-13(9-16-17(11)2)8-15-14(10-18)12-6-4-3-5-7-12/h3-7,9,14-15,18H,8,10H2,1-2H3/t14-/m0/s1
InChIKeyAUNYXVXEYUAKKU-AWEZNQCLSA-N
XLogP1.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol
CID 63182352
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 71968624
(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
CID 113257729
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
(1S)-1-(3-chlorophenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 81372486
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine
CID 103851409
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-nitrophenyl)propan-1-amine
CID 103851939
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 79570845
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol (CID 103851995) is (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol is Cc1c(CN[C@@H](CO)c2ccccc2)cnn1C.
What is the InChIKey of (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol?
The InChIKey is AUNYXVXEYUAKKU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-13(9-16-17(11)2)8-15-14(10-18)12-6-4-3-5-7-12/h3-7,9,14-15,18H,8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol?
(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol has a molecular weight of 245.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol is sourced from PubChem (CID 103851995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).