(1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol

C15H18F3N3O — CID 95348037

IUPAC(1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1cnn(CCNC[C@H](O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H18F3N3O/c1-11-8-20-21(10-11)7-6-19-9-14(22)12-2-4-13(5-3-12)15(16,17)18/h2-5,8,10,14,19,22H,6-7,9H2,1H3/t14-/m0/s1
InChIKeyROJQNFFMXBPQLQ-AWEZNQCLSA-N
MW313.32 g/mol
LogP2.53
Rot. Bonds6

About (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol

(1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 95348037) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID95348037
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name(1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1cnn(CCNC[C@H](O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H18F3N3O/c1-11-8-20-21(10-11)7-6-19-9-14(22)12-2-4-13(5-3-12)15(16,17)18/h2-5,8,10,14,19,22H,6-7,9H2,1H3/t14-/m0/s1
InChIKeyROJQNFFMXBPQLQ-AWEZNQCLSA-N
XLogP2.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-methoxy-5-methylphenyl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]ethanol
CID 95350933
2-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111769441
(2R)-1-(4-fluorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
CID 95750367
N-[2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]ethyl]methanesulfonamide
CID 60909343
2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60969600
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 106371948
(2S)-1-(4-chlorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
CID 95349657
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60899811
6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
CID 113384054
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]hexan-1-amine
CID 104627896

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol (CID 95348037) is (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol is Cc1cnn(CCNC[C@H](O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ROJQNFFMXBPQLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-11-8-20-21(10-11)7-6-19-9-14(22)12-2-4-13(5-3-12)15(16,17)18/h2-5,8,10,14,19,22H,6-7,9H2,1H3/t14-/m0/s1.
What are the key properties of (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol?
(1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 313.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[2-(4-methylpyrazol-1-yl)ethylamino]-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 95348037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).