N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C18H15F3N4O2 — CID 176705662

IUPACN-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1nn(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C18H15F3N4O2/c1-2-27-17-14(11-25(24-17)12-7-4-3-5-8-12)23-16(26)13-9-6-10-15(22-13)18(19,20)21/h3-11H,2H2,1H3,(H,23,26)
InChIKeyJQYKBNCYGYIKOX-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.94
Rot. Bonds5

About N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 176705662) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID176705662
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCOc1nn(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C18H15F3N4O2/c1-2-27-17-14(11-25(24-17)12-7-4-3-5-8-12)23-16(26)13-9-6-10-15(22-13)18(19,20)21/h3-11H,2H2,1H3,(H,23,26)
InChIKeyJQYKBNCYGYIKOX-UHFFFAOYSA-N
XLogP3.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 176705662) is N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is CCOc1nn(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is JQYKBNCYGYIKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-2-27-17-14(11-25(24-17)12-7-4-3-5-8-12)23-16(26)13-9-6-10-15(22-13)18(19,20)21/h3-11H,2H2,1H3,(H,23,26).
What are the key properties of N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 176705662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).