6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde

C7H6F3N3O — CID 137179077

IUPAC6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nn2c1NCC2
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)5-4(3-14)6-11-1-2-13(6)12-5/h3,11H,1-2H2
InChIKeyVJEBDZKTCXFMOI-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.14
Rot. Bonds1

About 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde

6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde (PubChem CID 137179077) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde
PubChem CID137179077
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde
SMILESO=Cc1c(C(F)(F)F)nn2c1NCC2
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)5-4(3-14)6-11-1-2-13(6)12-5/h3,11H,1-2H2
InChIKeyVJEBDZKTCXFMOI-UHFFFAOYSA-N
XLogP1.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde?
The IUPAC name of 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde (CID 137179077) is 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde.
What is the SMILES notation for 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde?
The canonical SMILES for 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde is O=Cc1c(C(F)(F)F)nn2c1NCC2.
What is the InChIKey of 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde?
The InChIKey is VJEBDZKTCXFMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)5-4(3-14)6-11-1-2-13(6)12-5/h3,11H,1-2H2.
What are the key properties of 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde?
6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde has a molecular weight of 205.14 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazole-7-carbaldehyde is sourced from PubChem (CID 137179077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).