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

C15H11F6N3O2 — CID 129030654

IUPAC6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C15H11F6N3O2/c16-14(17,18)9-3-1-2-8(6-9)7-23-4-5-24-12(23)10(13(25)26)11(22-24)15(19,20)21/h1-3,6H,4-5,7H2,(H,25,26)
InChIKeyNWEIPKRMQOWOSZ-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.64
Rot. Bonds3

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

6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (PubChem CID 129030654) has the molecular formula C15H11F6N3O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
PubChem CID129030654
Molecular FormulaC15H11F6N3O2
Molecular Weight379.26 g/mol
Exact Mass379.08
IUPAC Name6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C15H11F6N3O2/c16-14(17,18)9-3-1-2-8(6-9)7-23-4-5-24-12(23)10(13(25)26)11(22-24)15(19,20)21/h1-3,6H,4-5,7H2,(H,25,26)
InChIKeyNWEIPKRMQOWOSZ-UHFFFAOYSA-N
XLogP3.64
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (CID 129030654) is 6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is O=C(O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(C(F)(F)F)c1)CC2.
What is the InChIKey of 6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The InChIKey is NWEIPKRMQOWOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N3O2/c16-14(17,18)9-3-1-2-8(6-9)7-23-4-5-24-12(23)10(13(25)26)11(22-24)15(19,20)21/h1-3,6H,4-5,7H2,(H,25,26).
What are the key properties of 6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid has a molecular weight of 379.26 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is sourced from PubChem (CID 129030654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).