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

C19H21N3O2 — CID 4911950

IUPAC1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESCCOc1ccccc1C1N(c2ccccc2)C(=O)N2CCCN12
InChIInChI=1S/C19H21N3O2/c1-2-24-17-12-7-6-11-16(17)18-20-13-8-14-21(20)19(23)22(18)15-9-4-3-5-10-15/h3-7,9-12,18H,2,8,13-14H2,1H3
InChIKeyHGKLMMCSVIZNIL-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.65
Rot. Bonds4

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

1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (PubChem CID 4911950) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
PubChem CID4911950
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESCCOc1ccccc1C1N(c2ccccc2)C(=O)N2CCCN12
InChIInChI=1S/C19H21N3O2/c1-2-24-17-12-7-6-11-16(17)18-20-13-8-14-21(20)19(23)22(18)15-9-4-3-5-10-15/h3-7,9-12,18H,2,8,13-14H2,1H3
InChIKeyHGKLMMCSVIZNIL-UHFFFAOYSA-N
XLogP3.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3472201
(1R)-1-(2,4-dichlorophenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 7621939
(1S)-2-phenyl-1-pyridin-3-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 7220031
(1R)-2-phenyl-1-pyridin-3-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 7220032
(3R,7aS)-3-(2-ethoxyphenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686335
(1R)-1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 1330028
3-(2-ethoxyphenyl)-2-(4-methoxyphenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 5308809
2-(3-chlorophenyl)-1-(4-methylphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3784133
(1S)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 948485
2-(2-ethoxyphenyl)-2,3-dihydropyran-4-one
CID 15445237
2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
(4S)-4-(2-ethoxyphenyl)-1-phenyl-4,7-dihydro-3H-furo[3,4-b]pyridine-2,5-dione
CID 93036530

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The IUPAC name of 1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (CID 4911950) is 1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is CCOc1ccccc1C1N(c2ccccc2)C(=O)N2CCCN12.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The InChIKey is HGKLMMCSVIZNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-24-17-12-7-6-11-16(17)18-20-13-8-14-21(20)19(23)22(18)15-9-4-3-5-10-15/h3-7,9-12,18H,2,8,13-14H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one has a molecular weight of 323.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is sourced from PubChem (CID 4911950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).