N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane

C20H21F3N4O — CID 143534019

IUPACN,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane
SMILESCC.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)n1
InChIInChI=1S/C18H15F3N4O.C2H6/c1-24(2)17(26)14-10-6-9-13(22-14)15-11-16(18(19,20)21)25(23-15)12-7-4-3-5-8-12;1-2/h3-11H,1-2H3;1-2H3
InChIKeyYKSGNVKVYJXFAM-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.68
Rot. Bonds3

About N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane

N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane (PubChem CID 143534019) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane
PubChem CID143534019
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC NameN,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane
SMILESCC.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)n1
InChIInChI=1S/C18H15F3N4O.C2H6/c1-24(2)17(26)14-10-6-9-13(22-14)15-11-16(18(19,20)21)25(23-15)12-7-4-3-5-8-12;1-2/h3-11H,1-2H3;1-2H3
InChIKeyYKSGNVKVYJXFAM-UHFFFAOYSA-N
XLogP4.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane?
The IUPAC name of N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane (CID 143534019) is N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane.
What is the SMILES notation for N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane?
The canonical SMILES for N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane is CC.CN(C)C(=O)c1cccc(-c2cc(C(F)(F)F)n(-c3ccccc3)n2)n1.
What is the InChIKey of N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane?
The InChIKey is YKSGNVKVYJXFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O.C2H6/c1-24(2)17(26)14-10-6-9-13(22-14)15-11-16(18(19,20)21)25(23-15)12-7-4-3-5-8-12;1-2/h3-11H,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane?
N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane has a molecular weight of 390.41 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[1-phenyl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 143534019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).