2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide

C15H16F3N7O — CID 154866899

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)Nc1nnc2cnccn12
InChIInChI=1S/C15H16F3N7O/c1-8(12-9(2)23-25(10(12)3)7-15(16,17)18)13(26)20-14-22-21-11-6-19-4-5-24(11)14/h4-6,8H,7H2,1-3H3,(H,20,22,26)
InChIKeyGHKALSVTBBKOPG-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.24
Rot. Bonds4

About 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide (PubChem CID 154866899) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide
PubChem CID154866899
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)Nc1nnc2cnccn12
InChIInChI=1S/C15H16F3N7O/c1-8(12-9(2)23-25(10(12)3)7-15(16,17)18)13(26)20-14-22-21-11-6-19-4-5-24(11)14/h4-6,8H,7H2,1-3H3,(H,20,22,26)
InChIKeyGHKALSVTBBKOPG-UHFFFAOYSA-N
XLogP2.24
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide (CID 154866899) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide is Cc1nn(CC(F)(F)F)c(C)c1C(C)C(=O)Nc1nnc2cnccn12.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide?
The InChIKey is GHKALSVTBBKOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-8(12-9(2)23-25(10(12)3)7-15(16,17)18)13(26)20-14-22-21-11-6-19-4-5-24(11)14/h4-6,8H,7H2,1-3H3,(H,20,22,26).
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide has a molecular weight of 367.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)propanamide is sourced from PubChem (CID 154866899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).