3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide

C14H17F3N6O — CID 119104830

IUPAC3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C14H17F3N6O/c1-7-12(8(2)20-19-7)13(24)18-5-11-22-21-10-4-3-9(6-23(10)11)14(15,16)17/h9H,3-6H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyXUQSCPWVEBPSSH-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.67
Rot. Bonds3

About 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 119104830) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID119104830
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCc1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C14H17F3N6O/c1-7-12(8(2)20-19-7)13(24)18-5-11-22-21-10-4-3-9(6-23(10)11)14(15,16)17/h9H,3-6H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyXUQSCPWVEBPSSH-UHFFFAOYSA-N
XLogP1.67
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide (CID 119104830) is 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCc1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XUQSCPWVEBPSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-7-12(8(2)20-19-7)13(24)18-5-11-22-21-10-4-3-9(6-23(10)11)14(15,16)17/h9H,3-6H2,1-2H3,(H,18,24)(H,19,20).
What are the key properties of 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 119104830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).