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

C14H9F6N3O2 — CID 129030715

IUPAC6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c1N(c1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C14H9F6N3O2/c15-13(16,17)7-2-1-3-8(6-7)22-4-5-23-11(22)9(12(24)25)10(21-23)14(18,19)20/h1-3,6H,4-5H2,(H,24,25)
InChIKeyNMHBAYDNOVKNKK-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.77
Rot. Bonds2

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

6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (PubChem CID 129030715) has the molecular formula C14H9F6N3O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
PubChem CID129030715
Molecular FormulaC14H9F6N3O2
Molecular Weight365.23 g/mol
Exact Mass365.06
IUPAC Name6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nn2c1N(c1cccc(C(F)(F)F)c1)CC2
InChIInChI=1S/C14H9F6N3O2/c15-13(16,17)7-2-1-3-8(6-7)22-4-5-23-11(22)9(12(24)25)10(21-23)14(18,19)20/h1-3,6H,4-5H2,(H,24,25)
InChIKeyNMHBAYDNOVKNKK-UHFFFAOYSA-N
XLogP3.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.77
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]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid (CID 129030715) is 6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is O=C(O)c1c(C(F)(F)F)nn2c1N(c1cccc(C(F)(F)F)c1)CC2.
What is the InChIKey of 6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
The InChIKey is NMHBAYDNOVKNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O2/c15-13(16,17)7-2-1-3-8(6-7)22-4-5-23-11(22)9(12(24)25)10(21-23)14(18,19)20/h1-3,6H,4-5H2,(H,24,25).
What are the key properties of 6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid?
6-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid has a molecular weight of 365.23 g/mol, XLogP of 3.77, 2 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]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxylic acid is sourced from PubChem (CID 129030715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).