2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide

C13H10F3N7O — CID 154837842

IUPAC2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)c1cccnc1-n1cncn1
InChIInChI=1S/C13H10F3N7O/c14-13(15,16)6-22-5-9(4-19-22)21-12(24)10-2-1-3-18-11(10)23-8-17-7-20-23/h1-5,7-8H,6H2,(H,21,24)
InChIKeyWDVWAQCUQDSPLP-UHFFFAOYSA-N
MW337.27 g/mol
LogP1.67
Rot. Bonds4

About 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide

2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154837842) has the molecular formula C13H10F3N7O and a molecular weight of 337.27 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154837842
Molecular FormulaC13H10F3N7O
Molecular Weight337.27 g/mol
Exact Mass337.09
IUPAC Name2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)c1cccnc1-n1cncn1
InChIInChI=1S/C13H10F3N7O/c14-13(15,16)6-22-5-9(4-19-22)21-12(24)10-2-1-3-18-11(10)23-8-17-7-20-23/h1-5,7-8H,6H2,(H,21,24)
InChIKeyWDVWAQCUQDSPLP-UHFFFAOYSA-N
XLogP1.67
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

4,4-dimethyl-3-[[2-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]amino]pentanoic acid
CID 146153211
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55720371
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 38450679
2-phenyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741358
2-chloro-6-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]benzamide
CID 95741363
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 51092114
N-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 31700856
2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 71694646
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 31913964
2-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 24696176
3,3-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butanamide
CID 95741403
2-(4-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
CID 95741406

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide (CID 154837842) is 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)c1cccnc1-n1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is WDVWAQCUQDSPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N7O/c14-13(15,16)6-22-5-9(4-19-22)21-12(24)10-2-1-3-18-11(10)23-8-17-7-20-23/h1-5,7-8H,6H2,(H,21,24).
What are the key properties of 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide?
2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 337.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154837842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).