methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate

C11H11F3N4O2 — CID 58437091

IUPACmethyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
SMILESCOC(=O)[C@H](Cn1cccn1)n1cnc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4O2/c1-20-10(19)8(5-18-4-2-3-16-18)17-6-9(15-7-17)11(12,13)14/h2-4,6-8H,5H2,1H3/t8-/m0/s1
InChIKeyAVSIQOUZBGQAJC-QMMMGPOBSA-N
MW288.23 g/mol
LogP1.51
Rot. Bonds4

About methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate

methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate (PubChem CID 58437091) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
PubChem CID58437091
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Namemethyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate
SMILESCOC(=O)[C@H](Cn1cccn1)n1cnc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N4O2/c1-20-10(19)8(5-18-4-2-3-16-18)17-6-9(15-7-17)11(12,13)14/h2-4,6-8H,5H2,1H3/t8-/m0/s1
InChIKeyAVSIQOUZBGQAJC-QMMMGPOBSA-N
XLogP1.51
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate?
The IUPAC name of methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate (CID 58437091) is methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate?
The canonical SMILES for methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate is COC(=O)[C@H](Cn1cccn1)n1cnc(C(F)(F)F)c1.
What is the InChIKey of methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate?
The InChIKey is AVSIQOUZBGQAJC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c1-20-10(19)8(5-18-4-2-3-16-18)17-6-9(15-7-17)11(12,13)14/h2-4,6-8H,5H2,1H3/t8-/m0/s1.
What are the key properties of methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate?
methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate has a molecular weight of 288.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-pyrazol-1-yl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoate is sourced from PubChem (CID 58437091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).