4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane

C11H16F3N3 — CID 177203380

IUPAC4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane
SMILESCC.Cc1nc2c(c(C)c1C(F)(F)F)CNN2
InChIInChI=1S/C9H10F3N3.C2H6/c1-4-6-3-13-15-8(6)14-5(2)7(4)9(10,11)12;1-2/h13H,3H2,1-2H3,(H,14,15);1-2H3
InChIKeyRQSMUPLECRMKTO-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.17
Rot. Bonds

About 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane

4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane (PubChem CID 177203380) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane.

Molecular Properties

Compound Name4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane
PubChem CID177203380
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane
SMILESCC.Cc1nc2c(c(C)c1C(F)(F)F)CNN2
InChIInChI=1S/C9H10F3N3.C2H6/c1-4-6-3-13-15-8(6)14-5(2)7(4)9(10,11)12;1-2/h13H,3H2,1-2H3,(H,14,15);1-2H3
InChIKeyRQSMUPLECRMKTO-UHFFFAOYSA-N
XLogP3.17
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane?
The IUPAC name of 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane (CID 177203380) is 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane.
What is the SMILES notation for 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane?
The canonical SMILES for 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane is CC.Cc1nc2c(c(C)c1C(F)(F)F)CNN2.
What is the InChIKey of 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane?
The InChIKey is RQSMUPLECRMKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3.C2H6/c1-4-6-3-13-15-8(6)14-5(2)7(4)9(10,11)12;1-2/h13H,3H2,1-2H3,(H,14,15);1-2H3.
What are the key properties of 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane?
4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane has a molecular weight of 247.26 g/mol, XLogP of 3.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine;ethane is sourced from PubChem (CID 177203380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).