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

C18H18ClN3O2 — CID 3472201

IUPAC2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESCOc1ccccc1C1N(c2cccc(Cl)c2)C(=O)N2CCCN12
InChIInChI=1S/C18H18ClN3O2/c1-24-16-9-3-2-8-15(16)17-20-10-5-11-21(20)18(23)22(17)14-7-4-6-13(19)12-14/h2-4,6-9,12,17H,5,10-11H2,1H3
InChIKeyXBCLDPKGNWYDLD-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.91
Rot. Bonds3

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

2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (PubChem CID 3472201) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
PubChem CID3472201
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESCOc1ccccc1C1N(c2cccc(Cl)c2)C(=O)N2CCCN12
InChIInChI=1S/C18H18ClN3O2/c1-24-16-9-3-2-8-15(16)17-20-10-5-11-21(20)18(23)22(17)14-7-4-6-13(19)12-14/h2-4,6-9,12,17H,5,10-11H2,1H3
InChIKeyXBCLDPKGNWYDLD-UHFFFAOYSA-N
XLogP3.91
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(4-methylphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3784133
(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-(3-chlorophenyl)-1-(4-chlorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 948485
(1R)-2-(3-chlorophenyl)-1-(4-fluorophenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 949062
1-(2-ethoxyphenyl)-2-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 4911950
(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-chlorophenyl)-2-naphthalen-1-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 988336
(2R,6R,7R)-4-(4-chlorophenyl)-7-(2-methoxyphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 98347257
1-(4-chlorophenyl)-2-(2,6-dimethylphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 46256824
(2R,6R,7S)-7-(2-methoxyphenyl)-4-phenyl-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 98347182
(1S)-2-phenyl-1-pyridin-3-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 7220031
2-phenyl-1-pyridin-3-yl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 3159759

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The IUPAC name of 2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (CID 3472201) is 2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is COc1ccccc1C1N(c2cccc(Cl)c2)C(=O)N2CCCN12.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The InChIKey is XBCLDPKGNWYDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-24-16-9-3-2-8-15(16)17-20-10-5-11-21(20)18(23)22(17)14-7-4-6-13(19)12-14/h2-4,6-9,12,17H,5,10-11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one has a molecular weight of 343.81 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2-methoxyphenyl)-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is sourced from PubChem (CID 3472201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).