5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum

C21H32N2Pt — CID 153417775

IUPAC5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum
SMILESCCC(C)c1c(-c2c(C)cccc2C)c(C(C)C)nn1C(C)C.[Pt]
InChIInChI=1S/C21H32N2.Pt/c1-9-15(6)21-19(18-16(7)11-10-12-17(18)8)20(13(2)3)22-23(21)14(4)5;/h10-15H,9H2,1-8H3;
InChIKeyUMJBXRNRYMGCJP-UHFFFAOYSA-N
MW507.58 g/mol
LogP6.38
Rot. Bonds5

About 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum

5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum (PubChem CID 153417775) has the molecular formula C21H32N2Pt and a molecular weight of 507.58 g/mol. Its IUPAC name is 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum.

Molecular Properties

Compound Name5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum
PubChem CID153417775
Molecular FormulaC21H32N2Pt
Molecular Weight507.58 g/mol
Exact Mass507.22
IUPAC Name5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum
SMILESCCC(C)c1c(-c2c(C)cccc2C)c(C(C)C)nn1C(C)C.[Pt]
InChIInChI=1S/C21H32N2.Pt/c1-9-15(6)21-19(18-16(7)11-10-12-17(18)8)20(13(2)3)22-23(21)14(4)5;/h10-15H,9H2,1-8H3;
InChIKeyUMJBXRNRYMGCJP-UHFFFAOYSA-N
XLogP6.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.58
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum?
The IUPAC name of 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum (CID 153417775) is 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum.
What is the SMILES notation for 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum?
The canonical SMILES for 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum is CCC(C)c1c(-c2c(C)cccc2C)c(C(C)C)nn1C(C)C.[Pt].
What is the InChIKey of 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum?
The InChIKey is UMJBXRNRYMGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2.Pt/c1-9-15(6)21-19(18-16(7)11-10-12-17(18)8)20(13(2)3)22-23(21)14(4)5;/h10-15H,9H2,1-8H3;.
What are the key properties of 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum?
5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum has a molecular weight of 507.58 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-(2,6-dimethylphenyl)-1,3-di(propan-2-yl)pyrazole;platinum is sourced from PubChem (CID 153417775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).