2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol

C15H21N3O — CID 81363715

IUPAC2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1cccc([C@@H](C)NCc2cnn(CCO)c2)c1
InChIInChI=1S/C15H21N3O/c1-12-4-3-5-15(8-12)13(2)16-9-14-10-17-18(11-14)6-7-19/h3-5,8,10-11,13,16,19H,6-7,9H2,1-2H3/t13-/m1/s1
InChIKeyVDSRWKXUMAPKBN-CYBMUJFWSA-N
MW259.35 g/mol
LogP2.03
Rot. Bonds6

About 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol

2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 81363715) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
PubChem CID81363715
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1cccc([C@@H](C)NCc2cnn(CCO)c2)c1
InChIInChI=1S/C15H21N3O/c1-12-4-3-5-15(8-12)13(2)16-9-14-10-17-18(11-14)6-7-19/h3-5,8,10-11,13,16,19H,6-7,9H2,1-2H3/t13-/m1/s1
InChIKeyVDSRWKXUMAPKBN-CYBMUJFWSA-N
XLogP2.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[1-(4-bromophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64830577
2-[4-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]triazol-1-yl]ethanol
CID 81363740
(1S)-N-[(1-ethenylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 106937098
2-[4-[[1-(2-chlorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64829552
(2S)-2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79253702
2-[4-[(2,4-dimethylanilino)methyl]pyrazol-1-yl]ethanol
CID 64829341
methyl 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetate
CID 64830787
(1R)-N-[(1-ethylpyrrol-3-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363119
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol (CID 81363715) is 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol is Cc1cccc([C@@H](C)NCc2cnn(CCO)c2)c1.
What is the InChIKey of 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is VDSRWKXUMAPKBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-4-3-5-15(8-12)13(2)16-9-14-10-17-18(11-14)6-7-19/h3-5,8,10-11,13,16,19H,6-7,9H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 259.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 81363715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).