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

C22H34N2Pt — CID 153417017

IUPAC1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum
SMILESCCCc1nn(C(C)C)c(C(C)C)c1-c1c(C)c(C)cc(C)c1C.[Pt]
InChIInChI=1S/C22H34N2.Pt/c1-10-11-19-21(22(13(2)3)24(23-19)14(4)5)20-17(8)15(6)12-16(7)18(20)9;/h12-14H,10-11H2,1-9H3;
InChIKeyOPDXSUBFYSKXQD-UHFFFAOYSA-N
MW521.61 g/mol
LogP6.44
Rot. Bonds5

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

1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum (PubChem CID 153417017) has the molecular formula C22H34N2Pt and a molecular weight of 521.61 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum.

Molecular Properties

Compound Name1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum
PubChem CID153417017
Molecular FormulaC22H34N2Pt
Molecular Weight521.61 g/mol
Exact Mass521.24
IUPAC Name1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum
SMILESCCCc1nn(C(C)C)c(C(C)C)c1-c1c(C)c(C)cc(C)c1C.[Pt]
InChIInChI=1S/C22H34N2.Pt/c1-10-11-19-21(22(13(2)3)24(23-19)14(4)5)20-17(8)15(6)12-16(7)18(20)9;/h12-14H,10-11H2,1-9H3;
InChIKeyOPDXSUBFYSKXQD-UHFFFAOYSA-N
XLogP6.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.61
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum?
The IUPAC name of 1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum (CID 153417017) is 1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum.
What is the SMILES notation for 1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum?
The canonical SMILES for 1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum is CCCc1nn(C(C)C)c(C(C)C)c1-c1c(C)c(C)cc(C)c1C.[Pt].
What is the InChIKey of 1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum?
The InChIKey is OPDXSUBFYSKXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2.Pt/c1-10-11-19-21(22(13(2)3)24(23-19)14(4)5)20-17(8)15(6)12-16(7)18(20)9;/h12-14H,10-11H2,1-9H3;.
What are the key properties of 1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum?
1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum has a molecular weight of 521.61 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)-3-propyl-4-(2,3,5,6-tetramethylphenyl)pyrazole;platinum is sourced from PubChem (CID 153417017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).