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

C9H12F3N3 — CID 118585783

IUPAC1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine
SMILESCN1CCCc2c1c(C(F)(F)F)nn2C
InChIInChI=1S/C9H12F3N3/c1-14-5-3-4-6-7(14)8(9(10,11)12)13-15(6)2/h3-5H2,1-2H3
InChIKeyBXEHAAOODGLQTM-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.82
Rot. Bonds

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

1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine (PubChem CID 118585783) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine
PubChem CID118585783
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine
SMILESCN1CCCc2c1c(C(F)(F)F)nn2C
InChIInChI=1S/C9H12F3N3/c1-14-5-3-4-6-7(14)8(9(10,11)12)13-15(6)2/h3-5H2,1-2H3
InChIKeyBXEHAAOODGLQTM-UHFFFAOYSA-N
XLogP1.82
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine (CID 118585783) is 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine is CN1CCCc2c1c(C(F)(F)F)nn2C.
What is the InChIKey of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine?
The InChIKey is BXEHAAOODGLQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-14-5-3-4-6-7(14)8(9(10,11)12)13-15(6)2/h3-5H2,1-2H3.
What are the key properties of 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine?
1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine has a molecular weight of 219.21 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 118585783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).