N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide

C21H20N6O — CID 138989490

IUPACN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2ccc(-n3cc(C)cn3)cc2)n[nH]1
InChIInChI=1S/C21H20N6O/c1-3-19-24-20(26-25-19)17-6-4-5-7-18(17)23-21(28)15-8-10-16(11-9-15)27-13-14(2)12-22-27/h4-13H,3H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKeyOJWXUCYNAIEKMB-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide

N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide (PubChem CID 138989490) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide
PubChem CID138989490
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide
SMILESCCc1nc(-c2ccccc2NC(=O)c2ccc(-n3cc(C)cn3)cc2)n[nH]1
InChIInChI=1S/C21H20N6O/c1-3-19-24-20(26-25-19)17-6-4-5-7-18(17)23-21(28)15-8-10-16(11-9-15)27-13-14(2)12-22-27/h4-13H,3H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKeyOJWXUCYNAIEKMB-UHFFFAOYSA-N
XLogP3.78
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate
CID 138989702
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methylsulfinylbenzamide
CID 138989499
N-(2-methylpropyl)-2-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 55772351
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 167970718
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-6-sulfamoylpyridine-3-carboxamide
CID 154796060
4-(cyclopropylmethylsulfonyl)-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 146148764
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-methylindole-2-carboxamide
CID 138989491
N-[2-methyl-3-(methylsulfanylmethyl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide
CID 99405717
2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 138989696
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 167791700
N-(2-ethylphenyl)-4-pyrazol-1-ylbenzamide
CID 2992386
N-(3-bromophenyl)-4-(4-methylpyrazol-1-yl)benzamide
CID 55765069

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide (CID 138989490) is N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide is CCc1nc(-c2ccccc2NC(=O)c2ccc(-n3cc(C)cn3)cc2)n[nH]1.
What is the InChIKey of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide?
The InChIKey is OJWXUCYNAIEKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-3-19-24-20(26-25-19)17-6-4-5-7-18(17)23-21(28)15-8-10-16(11-9-15)27-13-14(2)12-22-27/h4-13H,3H2,1-2H3,(H,23,28)(H,24,25,26).
What are the key properties of N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide?
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide has a molecular weight of 372.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(4-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 138989490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).