3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde

C8H8F3N3O — CID 89231258

IUPAC3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7-5-3-14(4-15)2-1-6(5)12-13-7/h4H,1-3H2,(H,12,13)
InChIKeyBLGGNVCKGNADKS-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.94
Rot. Bonds1

About 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde

3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde (PubChem CID 89231258) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
PubChem CID89231258
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7-5-3-14(4-15)2-1-6(5)12-13-7/h4H,1-3H2,(H,12,13)
InChIKeyBLGGNVCKGNADKS-UHFFFAOYSA-N
XLogP0.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde?
The IUPAC name of 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde (CID 89231258) is 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde?
The canonical SMILES for 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde is O=CN1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde?
The InChIKey is BLGGNVCKGNADKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)7-5-3-14(4-15)2-1-6(5)12-13-7/h4H,1-3H2,(H,12,13).
What are the key properties of 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde?
3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde has a molecular weight of 219.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde is sourced from PubChem (CID 89231258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).