1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine

C9H12F3N3 — CID 135833151

IUPAC1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2c1CC(C(F)(F)F)CN2
InChIInChI=1S/C9H12F3N3/c1-5-7-3-6(9(10,11)12)4-13-8(7)15(2)14-5/h6,13H,3-4H2,1-2H3
InChIKeyVNGQOXRQQCBSFS-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.88
Rot. Bonds

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

1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine (PubChem CID 135833151) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
PubChem CID135833151
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2c1CC(C(F)(F)F)CN2
InChIInChI=1S/C9H12F3N3/c1-5-7-3-6(9(10,11)12)4-13-8(7)15(2)14-5/h6,13H,3-4H2,1-2H3
InChIKeyVNGQOXRQQCBSFS-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The IUPAC name of 1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine (CID 135833151) is 1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine is Cc1nn(C)c2c1CC(C(F)(F)F)CN2.
What is the InChIKey of 1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
The InChIKey is VNGQOXRQQCBSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5-7-3-6(9(10,11)12)4-13-8(7)15(2)14-5/h6,13H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine?
1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine has a molecular weight of 219.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-b]pyridine is sourced from PubChem (CID 135833151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).