4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium

C19H28N2Pd — CID 153448070

IUPAC4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium
SMILESCc1cc(C)cc(-c2c(C)nn(C(C)C)c2CC(C)C)c1.[Pd]
InChIInChI=1S/C19H28N2.Pd/c1-12(2)8-18-19(16(7)20-21(18)13(3)4)17-10-14(5)9-15(6)11-17;/h9-13H,8H2,1-7H3;
InChIKeyXIRZTHOORRCMAO-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.25
Rot. Bonds4

About 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium

4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium (PubChem CID 153448070) has the molecular formula C19H28N2Pd and a molecular weight of 390.87 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium
PubChem CID153448070
Molecular FormulaC19H28N2Pd
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium
SMILESCc1cc(C)cc(-c2c(C)nn(C(C)C)c2CC(C)C)c1.[Pd]
InChIInChI=1S/C19H28N2.Pd/c1-12(2)8-18-19(16(7)20-21(18)13(3)4)17-10-14(5)9-15(6)11-17;/h9-13H,8H2,1-7H3;
InChIKeyXIRZTHOORRCMAO-UHFFFAOYSA-N
XLogP5.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium?
The IUPAC name of 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium (CID 153448070) is 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium?
The canonical SMILES for 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium is Cc1cc(C)cc(-c2c(C)nn(C(C)C)c2CC(C)C)c1.[Pd].
What is the InChIKey of 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium?
The InChIKey is XIRZTHOORRCMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2.Pd/c1-12(2)8-18-19(16(7)20-21(18)13(3)4)17-10-14(5)9-15(6)11-17;/h9-13H,8H2,1-7H3;.
What are the key properties of 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium?
4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium has a molecular weight of 390.87 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-3-methyl-5-(2-methylpropyl)-1-propan-2-ylpyrazole;palladium is sourced from PubChem (CID 153448070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).