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

C15H12F3N5O2 — CID 139487811

IUPAC1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1
InChIInChI=1S/C15H12F3N5O2/c16-15(17,18)13-4-9(8-1-2-8)3-11-5-10(20-23(11)13)6-22-7-12(14(24)25)19-21-22/h3-5,7-8H,1-2,6H2,(H,24,25)
InChIKeyJSZJKADORCDJIY-UHFFFAOYSA-N
MW351.29 g/mol
LogP2.57
Rot. Bonds4

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

1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139487811) has the molecular formula C15H12F3N5O2 and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139487811
Molecular FormulaC15H12F3N5O2
Molecular Weight351.29 g/mol
Exact Mass351.09
IUPAC Name1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1
InChIInChI=1S/C15H12F3N5O2/c16-15(17,18)13-4-9(8-1-2-8)3-11-5-10(20-23(11)13)6-22-7-12(14(24)25)19-21-22/h3-5,7-8H,1-2,6H2,(H,24,25)
InChIKeyJSZJKADORCDJIY-UHFFFAOYSA-N
XLogP2.57
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139487811) is 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2cc3cc(C4CC4)cc(C(F)(F)F)n3n2)nn1.
What is the InChIKey of 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is JSZJKADORCDJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O2/c16-15(17,18)13-4-9(8-1-2-8)3-11-5-10(20-23(11)13)6-22-7-12(14(24)25)19-21-22/h3-5,7-8H,1-2,6H2,(H,24,25).
What are the key properties of 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 351.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).