7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C9H12F3N3 — CID 175056378

IUPAC7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESNC1CCC(CC(F)(F)F)n2nccc21
InChIInChI=1S/C9H12F3N3/c10-9(11,12)5-6-1-2-7(13)8-3-4-14-15(6)8/h3-4,6-7H,1-2,5,13H2
InChIKeyVMCUSERQLPBFMT-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.17
Rot. Bonds1

About 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 175056378) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound Name7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
PubChem CID175056378
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
SMILESNC1CCC(CC(F)(F)F)n2nccc21
InChIInChI=1S/C9H12F3N3/c10-9(11,12)5-6-1-2-7(13)8-3-4-14-15(6)8/h3-4,6-7H,1-2,5,13H2
InChIKeyVMCUSERQLPBFMT-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The IUPAC name of 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 175056378) is 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is NC1CCC(CC(F)(F)F)n2nccc21.
What is the InChIKey of 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
The InChIKey is VMCUSERQLPBFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c10-9(11,12)5-6-1-2-7(13)8-3-4-14-15(6)8/h3-4,6-7H,1-2,5,13H2.
What are the key properties of 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?
7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 219.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 175056378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).