3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum

C21H32N2Pt — CID 153415279

IUPAC3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum
SMILESCc1ccc(-c2c(C(C)(C)C)nn(C(C)C)c2C(C)(C)C)cc1.[Pt]
InChIInChI=1S/C21H32N2.Pt/c1-14(2)23-19(21(7,8)9)17(18(22-23)20(4,5)6)16-12-10-15(3)11-13-16;/h10-14H,1-9H3;
InChIKeyCNFAWFKEERWWOP-UHFFFAOYSA-N
MW507.58 g/mol
LogP6.03
Rot. Bonds2

About 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum

3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum (PubChem CID 153415279) has the molecular formula C21H32N2Pt and a molecular weight of 507.58 g/mol. Its IUPAC name is 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum.

Molecular Properties

Compound Name3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum
PubChem CID153415279
Molecular FormulaC21H32N2Pt
Molecular Weight507.58 g/mol
Exact Mass507.22
IUPAC Name3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum
SMILESCc1ccc(-c2c(C(C)(C)C)nn(C(C)C)c2C(C)(C)C)cc1.[Pt]
InChIInChI=1S/C21H32N2.Pt/c1-14(2)23-19(21(7,8)9)17(18(22-23)20(4,5)6)16-12-10-15(3)11-13-16;/h10-14H,1-9H3;
InChIKeyCNFAWFKEERWWOP-UHFFFAOYSA-N
XLogP6.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.58
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum?
The IUPAC name of 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum (CID 153415279) is 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum.
What is the SMILES notation for 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum?
The canonical SMILES for 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum is Cc1ccc(-c2c(C(C)(C)C)nn(C(C)C)c2C(C)(C)C)cc1.[Pt].
What is the InChIKey of 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum?
The InChIKey is CNFAWFKEERWWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2.Pt/c1-14(2)23-19(21(7,8)9)17(18(22-23)20(4,5)6)16-12-10-15(3)11-13-16;/h10-14H,1-9H3;.
What are the key properties of 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum?
3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum has a molecular weight of 507.58 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-4-(4-methylphenyl)-1-propan-2-ylpyrazole;platinum is sourced from PubChem (CID 153415279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).