methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

C16H13F6N3O2 — CID 129030653

IUPACmethyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C16H13F6N3O2/c1-27-14(26)11-12(16(20,21)22)23-25-7-6-24(13(11)25)8-9-2-4-10(5-3-9)15(17,18)19/h2-5H,6-8H2,1H3
InChIKeyMCRAZAZSLBGDFE-UHFFFAOYSA-N
MW393.29 g/mol
LogP3.73
Rot. Bonds3

About methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate

methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (PubChem CID 129030653) has the molecular formula C16H13F6N3O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
PubChem CID129030653
Molecular FormulaC16H13F6N3O2
Molecular Weight393.29 g/mol
Exact Mass393.09
IUPAC Namemethyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CC2
InChIInChI=1S/C16H13F6N3O2/c1-27-14(26)11-12(16(20,21)22)23-25-7-6-24(13(11)25)8-9-2-4-10(5-3-9)15(17,18)19/h2-5H,6-8H2,1H3
InChIKeyMCRAZAZSLBGDFE-UHFFFAOYSA-N
XLogP3.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The IUPAC name of methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate (CID 129030653) is methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate.
What is the SMILES notation for methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The canonical SMILES for methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is COC(=O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CC2.
What is the InChIKey of methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
The InChIKey is MCRAZAZSLBGDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N3O2/c1-27-14(26)11-12(16(20,21)22)23-25-7-6-24(13(11)25)8-9-2-4-10(5-3-9)15(17,18)19/h2-5H,6-8H2,1H3.
What are the key properties of methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate?
methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate has a molecular weight of 393.29 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylate is sourced from PubChem (CID 129030653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).