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

C17H15Cl2N3O — CID 3700278

IUPAC1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESO=C1N(c2ccc(Cl)cc2)C(c2ccccc2Cl)N2CCCN12
InChIInChI=1S/C17H15Cl2N3O/c18-12-6-8-13(9-7-12)22-16(14-4-1-2-5-15(14)19)20-10-3-11-21(20)17(22)23/h1-2,4-9,16H,3,10-11H2
InChIKeyZMZLTFAZDDSYJW-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.55
Rot. Bonds2

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

1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (PubChem CID 3700278) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
PubChem CID3700278
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESO=C1N(c2ccc(Cl)cc2)C(c2ccccc2Cl)N2CCCN12
InChIInChI=1S/C17H15Cl2N3O/c18-12-6-8-13(9-7-12)22-16(14-4-1-2-5-15(14)19)20-10-3-11-21(20)17(22)23/h1-2,4-9,16H,3,10-11H2
InChIKeyZMZLTFAZDDSYJW-UHFFFAOYSA-N
XLogP4.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 1330028
(1R)-1-(2,4-dichlorophenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 7621939
(1R)-1-(2-chlorophenyl)-2-naphthalen-1-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 988336
(1S)-1-(2-chlorophenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazole-3-thione
CID 949991
(1S)-2-(3-chlorophenyl)-1-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 948485
4-[(1S)-2-(4-chlorophenyl)-3-oxo-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-1-yl]benzonitrile
CID 7623083
(1R)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 950519
2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3472201
1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 4911950
1-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 46256824
2-(3-chlorophenyl)-1-(4-methylphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3784133
3-amino-4-(2-chlorophenyl)-1-(4-chlorophenyl)azetidin-2-one
CID 102537060

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The IUPAC name of 1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (CID 3700278) is 1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The canonical SMILES for 1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is O=C1N(c2ccc(Cl)cc2)C(c2ccccc2Cl)N2CCCN12.
What is the InChIKey of 1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The InChIKey is ZMZLTFAZDDSYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c18-12-6-8-13(9-7-12)22-16(14-4-1-2-5-15(14)19)20-10-3-11-21(20)17(22)23/h1-2,4-9,16H,3,10-11H2.
What are the key properties of 1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one has a molecular weight of 348.23 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is sourced from PubChem (CID 3700278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).