6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

C10H10F3N3 — CID 29091132

IUPAC6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCCc1cc(C(F)(F)F)c2cnn(C)c2n1
InChIInChI=1S/C10H10F3N3/c1-3-6-4-8(10(11,12)13)7-5-14-16(2)9(7)15-6/h4-5H,3H2,1-2H3
InChIKeyPQZAARNMBIORQZ-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.55
Rot. Bonds1

About 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 29091132) has the molecular formula C10H10F3N3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID29091132
Molecular FormulaC10H10F3N3
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCCc1cc(C(F)(F)F)c2cnn(C)c2n1
InChIInChI=1S/C10H10F3N3/c1-3-6-4-8(10(11,12)13)7-5-14-16(2)9(7)15-6/h4-5H,3H2,1-2H3
InChIKeyPQZAARNMBIORQZ-UHFFFAOYSA-N
XLogP2.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 29091132) is 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is CCc1cc(C(F)(F)F)c2cnn(C)c2n1.
What is the InChIKey of 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is PQZAARNMBIORQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-3-6-4-8(10(11,12)13)7-5-14-16(2)9(7)15-6/h4-5H,3H2,1-2H3.
What are the key properties of 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 229.20 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-methyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 29091132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).