ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate

C17H16F3N5O2 — CID 139487986

IUPACethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1
InChIInChI=1S/C17H16F3N5O2/c1-2-27-16(26)14-9-24(23-21-14)8-12-7-13-5-11(10-3-4-10)6-15(17(18,19)20)25(13)22-12/h5-7,9-10H,2-4,8H2,1H3
InChIKeyVENPARBFRPALEJ-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.05
Rot. Bonds5

About ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate

ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate (PubChem CID 139487986) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate
PubChem CID139487986
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Nameethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate
SMILESCCOC(=O)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1
InChIInChI=1S/C17H16F3N5O2/c1-2-27-16(26)14-9-24(23-21-14)8-12-7-13-5-11(10-3-4-10)6-15(17(18,19)20)25(13)22-12/h5-7,9-10H,2-4,8H2,1H3
InChIKeyVENPARBFRPALEJ-UHFFFAOYSA-N
XLogP3.05
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
The IUPAC name of ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate (CID 139487986) is ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate is CCOC(=O)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1.
What is the InChIKey of ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
The InChIKey is VENPARBFRPALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-2-27-16(26)14-9-24(23-21-14)8-12-7-13-5-11(10-3-4-10)6-15(17(18,19)20)25(13)22-12/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate has a molecular weight of 379.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylate is sourced from PubChem (CID 139487986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).