3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C18H18F3N3 — CID 19497858

IUPAC3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C18H18F3N3/c1-4-9-24-17-16(12(3)23-24)14(18(19,20)21)10-15(22-17)13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3
InChIKeyPMNJTUCMUYQMPR-UHFFFAOYSA-N
MW333.36 g/mol
LogP5.14
Rot. Bonds3

About 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 19497858) has the molecular formula C18H18F3N3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID19497858
Molecular FormulaC18H18F3N3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C18H18F3N3/c1-4-9-24-17-16(12(3)23-24)14(18(19,20)21)10-15(22-17)13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3
InChIKeyPMNJTUCMUYQMPR-UHFFFAOYSA-N
XLogP5.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 19497858) is 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is CCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21.
What is the InChIKey of 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is PMNJTUCMUYQMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3/c1-4-9-24-17-16(12(3)23-24)14(18(19,20)21)10-15(22-17)13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 333.36 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 19497858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).