6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

C11H16F3N3 — CID 90162189

IUPAC6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCC(C)n1nc(C(F)(F)F)c2c1CN(C)CC2
InChIInChI=1S/C11H16F3N3/c1-7(2)17-9-6-16(3)5-4-8(9)10(15-17)11(12,13)14/h7H,4-6H2,1-3H3
InChIKeyULXSBXKKSJJXJH-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.47
Rot. Bonds1

About 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine

6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (PubChem CID 90162189) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
PubChem CID90162189
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
SMILESCC(C)n1nc(C(F)(F)F)c2c1CN(C)CC2
InChIInChI=1S/C11H16F3N3/c1-7(2)17-9-6-16(3)5-4-8(9)10(15-17)11(12,13)14/h7H,4-6H2,1-3H3
InChIKeyULXSBXKKSJJXJH-UHFFFAOYSA-N
XLogP2.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine (CID 90162189) is 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is CC(C)n1nc(C(F)(F)F)c2c1CN(C)CC2.
What is the InChIKey of 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
The InChIKey is ULXSBXKKSJJXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)17-9-6-16(3)5-4-8(9)10(15-17)11(12,13)14/h7H,4-6H2,1-3H3.
What are the key properties of 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine?
6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine has a molecular weight of 247.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 90162189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).