ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide

C23H21FN4O — CID 143049137

IUPACethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC.NC(=O)c1nc(-c2cccc(-c3ccccc3-c3ccc(F)cc3)c2)n[nH]1
InChIInChI=1S/C21H15FN4O.C2H6/c22-16-10-8-13(9-11-16)17-6-1-2-7-18(17)14-4-3-5-15(12-14)20-24-21(19(23)27)26-25-20;1-2/h1-12H,(H2,23,27)(H,24,25,26);1-2H3
InChIKeyQTSYAXYPCCSRKQ-UHFFFAOYSA-N
MW388.45 g/mol
LogP5.07
Rot. Bonds4

About ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide

ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 143049137) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Nameethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID143049137
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC Nameethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCC.NC(=O)c1nc(-c2cccc(-c3ccccc3-c3ccc(F)cc3)c2)n[nH]1
InChIInChI=1S/C21H15FN4O.C2H6/c22-16-10-8-13(9-11-16)17-6-1-2-7-18(17)14-4-3-5-15(12-14)20-24-21(19(23)27)26-25-20;1-2/h1-12H,(H2,23,27)(H,24,25,26);1-2H3
InChIKeyQTSYAXYPCCSRKQ-UHFFFAOYSA-N
XLogP5.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[2-(3,5-difluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;ethane
CID 143049138
3-[3-[2-(2,3,4-trifluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 11463529
3-[3-[2-[3-(2-methylhydrazinyl)phenyl]phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 143049125
3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 11416515
3-[3-[5-fluoro-2-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 11167536
3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 91611276
3-[3-(2-bromophenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;2-ethoxyethyl(trimethyl)silane
CID 159416478
3-(4-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 68802804
3-[4,5-difluoro-2-(3-fluorophenyl)-3-phenylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 174514938
phenyl 3-[3-(5-phenoxycarbonyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-1,2,4-triazole-5-carboxylate
CID 118529438
3-(2,4-dihydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 175704846
N-[2-[3-[3-[5-(2-acetamidophenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazol-5-yl]phenyl]acetamide
CID 118529738

Frequently Asked Questions

What is the IUPAC name of ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 143049137) is ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide is CC.NC(=O)c1nc(-c2cccc(-c3ccccc3-c3ccc(F)cc3)c2)n[nH]1.
What is the InChIKey of ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is QTSYAXYPCCSRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O.C2H6/c22-16-10-8-13(9-11-16)17-6-1-2-7-18(17)14-4-3-5-15(12-14)20-24-21(19(23)27)26-25-20;1-2/h1-12H,(H2,23,27)(H,24,25,26);1-2H3.
What are the key properties of ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide?
ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 143049137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).