1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one

C20H28GeN6O — CID 137272818

IUPAC1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one
SMILESCC[Ge](CC)(CC)c1n[nH]nc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H28GeN6O/c1-6-21(7-2,8-3)19-17(23-25-24-19)14-22-18-15(4)26(5)27(20(18)28)16-12-10-9-11-13-16/h9-14H,6-8H2,1-5H3,(H,23,24,25)/b22-14+
InChIKeyYFSKKBMQNLLJQC-HYARGMPZSA-N
MW441.10 g/mol
LogP3.07
Rot. Bonds7

About 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one

1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one (PubChem CID 137272818) has the molecular formula C20H28GeN6O and a molecular weight of 441.10 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one.

Molecular Properties

Compound Name1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one
PubChem CID137272818
Molecular FormulaC20H28GeN6O
Molecular Weight441.10 g/mol
Exact Mass442.15
IUPAC Name1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one
SMILESCC[Ge](CC)(CC)c1n[nH]nc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H28GeN6O/c1-6-21(7-2,8-3)19-17(23-25-24-19)14-22-18-15(4)26(5)27(20(18)28)16-12-10-9-11-13-16/h9-14H,6-8H2,1-5H3,(H,23,24,25)/b22-14+
InChIKeyYFSKKBMQNLLJQC-HYARGMPZSA-N
XLogP3.07
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.10
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-4-[(2-methylphenyl)methylideneamino]-2-phenylpyrazol-3-one
CID 4064247
1,5-dimethyl-4-(naphthalen-1-ylmethylideneamino)-2-phenylpyrazol-3-one
CID 690763
4-[(2-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 710097
4-[(2-bromophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1286562
4-[(3-bromophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1098360
4-(1,2-dihydroacenaphthylen-5-ylmethylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 1099344
2-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenoxy]acetic acid;hydrate
CID 139070005
[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]phenyl]-dodecyl-dimethylazanium
CID 175685208
4-[(3-bromo-4-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 3531138
4-[(8-hydroxyquinolin-2-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 137274143
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135401816
1,5-dimethyl-4-[[5-(2-methylphenyl)furan-2-yl]methylideneamino]-2-phenylpyrazol-3-one
CID 1180684

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one?
The IUPAC name of 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one (CID 137272818) is 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one.
What is the SMILES notation for 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one?
The canonical SMILES for 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one is CC[Ge](CC)(CC)c1n[nH]nc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one?
The InChIKey is YFSKKBMQNLLJQC-HYARGMPZSA-N. The full InChI is InChI=1S/C20H28GeN6O/c1-6-21(7-2,8-3)19-17(23-25-24-19)14-22-18-15(4)26(5)27(20(18)28)16-12-10-9-11-13-16/h9-14H,6-8H2,1-5H3,(H,23,24,25)/b22-14+.
What are the key properties of 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one?
1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one has a molecular weight of 441.10 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenyl-4-[(5-triethylgermyl-2H-triazol-4-yl)methylideneamino]pyrazol-3-one is sourced from PubChem (CID 137272818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).