1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide

C19H20N4O — CID 53332768

IUPAC1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
SMILESCCc1ccc(-n2cc(C(=O)NCc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C19H20N4O/c1-3-15-7-9-17(10-8-15)23-13-18(21-22-23)19(24)20-12-16-6-4-5-14(2)11-16/h4-11,13H,3,12H2,1-2H3,(H,20,24)
InChIKeyDHAPSDNVUGVSCF-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide

1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 53332768) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID53332768
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
SMILESCCc1ccc(-n2cc(C(=O)NCc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C19H20N4O/c1-3-15-7-9-17(10-8-15)23-13-18(21-22-23)19(24)20-12-16-6-4-5-14(2)11-16/h4-11,13H,3,12H2,1-2H3,(H,20,24)
InChIKeyDHAPSDNVUGVSCF-UHFFFAOYSA-N
XLogP3.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]triazole-4-carboxamide
CID 53332727
1-(4-ethylphenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]triazole-4-carboxamide
CID 71802853
1-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 17015529
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 53365318
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 136579455
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
1-(4-fluoro-3-methylphenyl)-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 53332669
1-(3-ethylphenyl)triazole-4-carbohydrazide
CID 112708382

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide (CID 53332768) is 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide is CCc1ccc(-n2cc(C(=O)NCc3cccc(C)c3)nn2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is DHAPSDNVUGVSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-15-7-9-17(10-8-15)23-13-18(21-22-23)19(24)20-12-16-6-4-5-14(2)11-16/h4-11,13H,3,12H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide?
1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 53332768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).