3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium

C17H24N2Pd — CID 153442886

IUPAC3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium
SMILESCc1ccc(C)c(-c2c(C)nn(C(C)C)c2C)c1C.[Pd]
InChIInChI=1S/C17H24N2.Pd/c1-10(2)19-15(7)17(14(6)18-19)16-12(4)9-8-11(3)13(16)5;/h8-10H,1-7H3;
InChIKeyGMYHQMMSHVYJBD-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.67
Rot. Bonds2

About 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium

3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium (PubChem CID 153442886) has the molecular formula C17H24N2Pd and a molecular weight of 362.81 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium
PubChem CID153442886
Molecular FormulaC17H24N2Pd
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium
SMILESCc1ccc(C)c(-c2c(C)nn(C(C)C)c2C)c1C.[Pd]
InChIInChI=1S/C17H24N2.Pd/c1-10(2)19-15(7)17(14(6)18-19)16-12(4)9-8-11(3)13(16)5;/h8-10H,1-7H3;
InChIKeyGMYHQMMSHVYJBD-UHFFFAOYSA-N
XLogP4.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium (CID 153442886) is 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium is Cc1ccc(C)c(-c2c(C)nn(C(C)C)c2C)c1C.[Pd].
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium?
The InChIKey is GMYHQMMSHVYJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.Pd/c1-10(2)19-15(7)17(14(6)18-19)16-12(4)9-8-11(3)13(16)5;/h8-10H,1-7H3;.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium?
3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium has a molecular weight of 362.81 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-4-(2,3,6-trimethylphenyl)pyrazole;palladium is sourced from PubChem (CID 153442886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).