(2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol

C16H20F3N3O — CID 95274058

IUPAC(2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](Cn1cccn1)NC[C@](C)(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O/c1-12(10-22-8-4-7-21-22)20-11-15(2,23)13-5-3-6-14(9-13)16(17,18)19/h3-9,12,20,23H,10-11H2,1-2H3/t12-,15-/m0/s1
InChIKeyWYVISIVVNVZAHN-WFASDCNBSA-N
MW327.35 g/mol
LogP2.79
Rot. Bonds6

About (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol

(2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 95274058) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID95274058
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name(2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESC[C@@H](Cn1cccn1)NC[C@](C)(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H20F3N3O/c1-12(10-22-8-4-7-21-22)20-11-15(2,23)13-5-3-6-14(9-13)16(17,18)19/h3-9,12,20,23H,10-11H2,1-2H3/t12-,15-/m0/s1
InChIKeyWYVISIVVNVZAHN-WFASDCNBSA-N
XLogP2.79
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 95274058) is (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol is C[C@@H](Cn1cccn1)NC[C@](C)(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is WYVISIVVNVZAHN-WFASDCNBSA-N. The full InChI is InChI=1S/C16H20F3N3O/c1-12(10-22-8-4-7-21-22)20-11-15(2,23)13-5-3-6-14(9-13)16(17,18)19/h3-9,12,20,23H,10-11H2,1-2H3/t12-,15-/m0/s1.
What are the key properties of (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol?
(2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 327.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 95274058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).