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

C11H16F3N3 — CID 118582047

IUPAC1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine
SMILESCC(C)N1CCCc2c1c(C(F)(F)F)nn2C
InChIInChI=1S/C11H16F3N3/c1-7(2)17-6-4-5-8-9(17)10(11(12,13)14)15-16(8)3/h7H,4-6H2,1-3H3
InChIKeyXMFMCHKYCSJATD-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.60
Rot. Bonds1

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

1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine (PubChem CID 118582047) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine
PubChem CID118582047
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine
SMILESCC(C)N1CCCc2c1c(C(F)(F)F)nn2C
InChIInChI=1S/C11H16F3N3/c1-7(2)17-6-4-5-8-9(17)10(11(12,13)14)15-16(8)3/h7H,4-6H2,1-3H3
InChIKeyXMFMCHKYCSJATD-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine (CID 118582047) is 1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine is CC(C)N1CCCc2c1c(C(F)(F)F)nn2C.
What is the InChIKey of 1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine?
The InChIKey is XMFMCHKYCSJATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)17-6-4-5-8-9(17)10(11(12,13)14)15-16(8)3/h7H,4-6H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine?
1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine has a molecular weight of 247.26 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 118582047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).