2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C21H14F3N5O — CID 71694646

IUPAC2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1-n1cc(-c2ccncc2)cn1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)16-3-1-4-17(11-16)28-20(30)18-5-2-8-26-19(18)29-13-15(12-27-29)14-6-9-25-10-7-14/h1-13H,(H,28,30)
InChIKeyUYRLVVLKHRRZJN-UHFFFAOYSA-N
MW409.37 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 71694646) has the molecular formula C21H14F3N5O and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID71694646
Molecular FormulaC21H14F3N5O
Molecular Weight409.37 g/mol
Exact Mass409.12
IUPAC Name2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1-n1cc(-c2ccncc2)cn1
InChIInChI=1S/C21H14F3N5O/c22-21(23,24)16-3-1-4-17(11-16)28-20(30)18-5-2-8-26-19(18)29-13-15(12-27-29)14-6-9-25-10-7-14/h1-13H,(H,28,30)
InChIKeyUYRLVVLKHRRZJN-UHFFFAOYSA-N
XLogP4.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2978702
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81240010
3-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 105071549
6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16659692
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330
2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
CID 162621094
2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 68819781
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
5-imidazo[1,2-b]pyridazin-3-yl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 67891392

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 71694646) is 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1-n1cc(-c2ccncc2)cn1.
What is the InChIKey of 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is UYRLVVLKHRRZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5O/c22-21(23,24)16-3-1-4-17(11-16)28-20(30)18-5-2-8-26-19(18)29-13-15(12-27-29)14-6-9-25-10-7-14/h1-13H,(H,28,30).
What are the key properties of 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 71694646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).