ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate

C17H14F3N3O2 — CID 58739218

IUPACethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccc2C(F)(F)F)c2ncccc12
InChIInChI=1S/C17H14F3N3O2/c1-2-25-16(24)14-12-7-5-9-21-15(12)23(22-14)10-11-6-3-4-8-13(11)17(18,19)20/h3-9H,2,10H2,1H3
InChIKeyZARLHQXZFIKBKH-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.68
Rot. Bonds4

About ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate

ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 58739218) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID58739218
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Nameethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccc2C(F)(F)F)c2ncccc12
InChIInChI=1S/C17H14F3N3O2/c1-2-25-16(24)14-12-7-5-9-21-15(12)23(22-14)10-11-6-3-4-8-13(11)17(18,19)20/h3-9H,2,10H2,1H3
InChIKeyZARLHQXZFIKBKH-UHFFFAOYSA-N
XLogP3.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 777816
methyl 3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 17025734
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
Ethyl 3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 1938662
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 753813
Ethyl 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754757
Ethyl 3-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1481775

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate (CID 58739218) is ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccc2C(F)(F)F)c2ncccc12.
What is the InChIKey of ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is ZARLHQXZFIKBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-2-25-16(24)14-12-7-5-9-21-15(12)23(22-14)10-11-6-3-4-8-13(11)17(18,19)20/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 349.31 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 58739218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).