3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid

C8H8F3N3O2 — CID 153306427

IUPAC3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid
SMILESO=C(O)C1CNCc2c(C(F)(F)F)n[nH]c21
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)6-3-1-12-2-4(7(15)16)5(3)13-14-6/h4,12H,1-2H2,(H,13,14)(H,15,16)
InChIKeyQQXSBTDBAJQYEQ-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.70
Rot. Bonds1

About 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 153306427) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid
PubChem CID153306427
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid
SMILESO=C(O)C1CNCc2c(C(F)(F)F)n[nH]c21
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)6-3-1-12-2-4(7(15)16)5(3)13-14-6/h4,12H,1-2H2,(H,13,14)(H,15,16)
InChIKeyQQXSBTDBAJQYEQ-UHFFFAOYSA-N
XLogP0.70
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid (CID 153306427) is 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid is O=C(O)C1CNCc2c(C(F)(F)F)n[nH]c21.
What is the InChIKey of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is QQXSBTDBAJQYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)6-3-1-12-2-4(7(15)16)5(3)13-14-6/h4,12H,1-2H2,(H,13,14)(H,15,16).
What are the key properties of 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid?
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 153306427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).