2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one

C21H19N3O — CID 2929073

IUPAC2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESO=C1N(c2cccc3ccccc23)C(c2ccccc2)N2CCCN12
InChIInChI=1S/C21H19N3O/c25-21-23-15-7-14-22(23)20(17-9-2-1-3-10-17)24(21)19-13-6-11-16-8-4-5-12-18(16)19/h1-6,8-13,20H,7,14-15H2
InChIKeyIRDJPCKOSDLCKU-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.40
Rot. Bonds2

About 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one

2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (PubChem CID 2929073) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
PubChem CID2929073
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
SMILESO=C1N(c2cccc3ccccc23)C(c2ccccc2)N2CCCN12
InChIInChI=1S/C21H19N3O/c25-21-23-15-7-14-22(23)20(17-9-2-1-3-10-17)24(21)19-13-6-11-16-8-4-5-12-18(16)19/h1-6,8-13,20H,7,14-15H2
InChIKeyIRDJPCKOSDLCKU-UHFFFAOYSA-N
XLogP4.40
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one with MolForge

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Related Compounds

Tideglusib
CID 11313622
2,3-diphenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 4438447
1-(1-Naphthalenyl)-3-[3-(1-pyrrolidinyl)propyl]urea
CID 3237901
2-Naphthalen-1-yl-4-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione
CID 156019525
1-Ethyl-3-naphthalen-1-yl-1-phenylurea
CID 292801
3-Ethyl-4,4,6-trimethyl-1-naphthalen-1-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 771473
N-1-naphthyl-4-phenyl-3,6-dihydro-1(2H)-pyridinecarboxamide
CID 975262
3-(4-methylphenyl)-2-phenyltetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
CID 2894777
4-[(4-Methylphenyl)methyl]-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
CID 156019564
3-Naphthalen-1-yl-2-phenyl-tetrahydro-pyrazolo[1,2-a][1,2,4]triazole-1-thione
CID 3558242
4-Benzyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione
CID 156012943
1-Ethyl-3-(1-naphthyl)-1-(O-tolyl)urea
CID 295005

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The IUPAC name of 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one (CID 2929073) is 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one.
What is the SMILES notation for 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The canonical SMILES for 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is O=C1N(c2cccc3ccccc23)C(c2ccccc2)N2CCCN12.
What is the InChIKey of 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
The InChIKey is IRDJPCKOSDLCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21-23-15-7-14-22(23)20(17-9-2-1-3-10-17)24(21)19-13-6-11-16-8-4-5-12-18(16)19/h1-6,8-13,20H,7,14-15H2.
What are the key properties of 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one?
2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one has a molecular weight of 329.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-phenyl-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one is sourced from PubChem (CID 2929073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).