(2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol

C15H18F3N3O2 — CID 95274456

IUPAC(2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)Cn1cccn1
InChIInChI=1S/C15H18F3N3O2/c1-20(10-13(22)11-21-8-2-7-19-21)9-12-3-5-14(6-4-12)23-15(16,17)18/h2-8,13,22H,9-11H2,1H3/t13-/m1/s1
InChIKeyITTZXLNHVVEBHE-CYBMUJFWSA-N
MW329.32 g/mol
LogP2.27
Rot. Bonds7

About (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95274456) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95274456
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name(2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)Cn1cccn1
InChIInChI=1S/C15H18F3N3O2/c1-20(10-13(22)11-21-8-2-7-19-21)9-12-3-5-14(6-4-12)23-15(16,17)18/h2-8,13,22H,9-11H2,1H3/t13-/m1/s1
InChIKeyITTZXLNHVVEBHE-CYBMUJFWSA-N
XLogP2.27
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]butan-2-ol
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1-[benzyl(propan-2-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 60501287
1-[benzyl(methyl)amino]-3-[4-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45241369
(2S)-1-[benzyl(methyl)amino]-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95610412
(2S)-1-[benzyl(methyl)amino]-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426746
N'-hydroxy-2-methyl-3-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanimidamide
CID 76910796
1-(4-fluorophenoxy)-3-pyrazol-1-ylpropan-2-ol
CID 109411608
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
(2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129458634
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol (CID 95274456) is (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol is CN(Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)Cn1cccn1.
What is the InChIKey of (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is ITTZXLNHVVEBHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-20(10-13(22)11-21-8-2-7-19-21)9-12-3-5-14(6-4-12)23-15(16,17)18/h2-8,13,22H,9-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 329.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95274456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).