1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one

C18H19N3O — CID 2894777

IUPAC1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESCc1ccc(C2N(c3ccccc3)C(=O)N3CCCN23)cc1
InChIInChI=1S/C18H19N3O/c1-14-8-10-15(11-9-14)17-19-12-5-13-20(19)18(22)21(17)16-6-3-2-4-7-16/h2-4,6-11,17H,5,12-13H2,1H3
InChIKeyYPLNSWMNAYLDHO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.56
Rot. Bonds2

About 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one

1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (PubChem CID 2894777) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
PubChem CID2894777
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESCc1ccc(C2N(c3ccccc3)C(=O)N3CCCN23)cc1
InChIInChI=1S/C18H19N3O/c1-14-8-10-15(11-9-14)17-19-12-5-13-20(19)18(22)21(17)16-6-3-2-4-7-16/h2-4,6-11,17H,5,12-13H2,1H3
InChIKeyYPLNSWMNAYLDHO-UHFFFAOYSA-N
XLogP3.56
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-3-(4-methylphenyl)tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 3645579
2,3-diphenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 4438447
2,3-diphenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
CID 2927919
2-(1-naphthyl)-3-phenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 2929073
2-(3-Chloro-phenyl)-3-phenyl-tetrahydro-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 3514222
2-(4-Chloro-phenyl)-3-phenyl-tetrahydro-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 3820842
2-(3-Chlorophenyl)-1-(4-methylphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3784133
1-(4-Fluorophenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
CID 4586826
6,6-dimethyl-2,3-diphenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
CID 2924850
2-(4-methylbenzyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 1480910
3-(4-methylphenyl)-2-phenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazole-1-thione
CID 2929856
2-(3-Chloro-phenyl)-3-(4-chloro-phenyl)-tetrahydro-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 3801445

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The IUPAC name of 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (CID 2894777) is 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
What is the SMILES notation for 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The canonical SMILES for 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is Cc1ccc(C2N(c3ccccc3)C(=O)N3CCCN23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The InChIKey is YPLNSWMNAYLDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-8-10-15(11-9-14)17-19-12-5-13-20(19)18(22)21(17)16-6-3-2-4-7-16/h2-4,6-11,17H,5,12-13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one has a molecular weight of 293.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is sourced from PubChem (CID 2894777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).