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

C14H15F3N4O2 — CID 39502631

IUPAC1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cnn1C
InChIInChI=1S/C14H15F3N4O2/c1-9-11(7-20-21(9)2)13(22)19-6-10-3-4-18-12(5-10)23-8-14(15,16)17/h3-5,7H,6,8H2,1-2H3,(H,19,22)
InChIKeyJCRGYJDLYBKHMK-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.99
Rot. Bonds5

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

1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 39502631) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID39502631
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cnn1C
InChIInChI=1S/C14H15F3N4O2/c1-9-11(7-20-21(9)2)13(22)19-6-10-3-4-18-12(5-10)23-8-14(15,16)17/h3-5,7H,6,8H2,1-2H3,(H,19,22)
InChIKeyJCRGYJDLYBKHMK-UHFFFAOYSA-N
XLogP1.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide (CID 39502631) is 1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is JCRGYJDLYBKHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-9-11(7-20-21(9)2)13(22)19-6-10-3-4-18-12(5-10)23-8-14(15,16)17/h3-5,7H,6,8H2,1-2H3,(H,19,22).
What are the key properties of 1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide?
1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 39502631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).