1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide

C15H17F3N4O2 — CID 39502363

IUPAC1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H17F3N4O2/c1-9-13(10(2)22(3)21-9)14(23)20-7-11-4-5-19-12(6-11)24-8-15(16,17)18/h4-6H,7-8H2,1-3H3,(H,20,23)
InChIKeyNLCKESCMPUCABN-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.30
Rot. Bonds5

About 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 39502363) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID39502363
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H17F3N4O2/c1-9-13(10(2)22(3)21-9)14(23)20-7-11-4-5-19-12(6-11)24-8-15(16,17)18/h4-6H,7-8H2,1-3H3,(H,20,23)
InChIKeyNLCKESCMPUCABN-UHFFFAOYSA-N
XLogP2.30
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide (CID 39502363) is 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is NLCKESCMPUCABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-9-13(10(2)22(3)21-9)14(23)20-7-11-4-5-19-12(6-11)24-8-15(16,17)18/h4-6H,7-8H2,1-3H3,(H,20,23).
What are the key properties of 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39502363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).