2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C15H18F3N3O — CID 111113466

IUPAC2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnn(Cc2ccccc2)c1)CC(F)(F)F
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-20(6-7-22)9-14-8-19-21(11-14)10-13-4-2-1-3-5-13/h1-5,8,11,22H,6-7,9-10,12H2
InChIKeyKGQMMYUULHCXHF-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.29
Rot. Bonds7

About 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 111113466) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID111113466
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC Name2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnn(Cc2ccccc2)c1)CC(F)(F)F
InChIInChI=1S/C15H18F3N3O/c16-15(17,18)12-20(6-7-22)9-14-8-19-21(11-14)10-13-4-2-1-3-5-13/h1-5,8,11,22H,6-7,9-10,12H2
InChIKeyKGQMMYUULHCXHF-UHFFFAOYSA-N
XLogP2.29
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-1H-pyrazole
CID 3546441
1-Benzyl-4-iodo-1H-pyrazole
CID 3794579
1-Benzyl-1H-pyrazole-4-boronic acid
CID 3352881
1-benzyl-1H-pyrazol-4-ol
CID 642218
2-(4-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl) methyl) piperazin-1-yl)ethanol
CID 135659014
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)propan-2-amine
CID 16190067
(1-benzyl-1H-pyrazol-4-yl)methanamine
CID 24704245
1-[(2-Fluorophenyl)methyl]-1h-pyrazole
CID 57080327
1-((4-fluorophenyl)methyl)-1H-pyrazol-4-ol
CID 90457104
1-[(2-fluorophenyl)methyl]-1H-pyrazol-4-ol
CID 90457437
1-[[4-(Trifluoromethyl)phenyl]methylamino]-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 2809228
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 45196985

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 111113466) is 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1cnn(Cc2ccccc2)c1)CC(F)(F)F.
What is the InChIKey of 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is KGQMMYUULHCXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c16-15(17,18)12-20(6-7-22)9-14-8-19-21(11-14)10-13-4-2-1-3-5-13/h1-5,8,11,22H,6-7,9-10,12H2.
What are the key properties of 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 313.32 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 111113466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).