3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum

C18H26N2OPt — CID 153442122

IUPAC3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum
SMILESCOc1nn(C(C)C)c(C(C)C(C)C)c1-c1ccccc1.[Pt]
InChIInChI=1S/C18H26N2O.Pt/c1-12(2)14(5)17-16(15-10-8-7-9-11-15)18(21-6)19-20(17)13(3)4;/h7-14H,1-6H3;
InChIKeyNYJAFEGZBDQERW-UHFFFAOYSA-N
MW481.50 g/mol
LogP4.90
Rot. Bonds5

About 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum

3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum (PubChem CID 153442122) has the molecular formula C18H26N2OPt and a molecular weight of 481.50 g/mol. Its IUPAC name is 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum.

Molecular Properties

Compound Name3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum
PubChem CID153442122
Molecular FormulaC18H26N2OPt
Molecular Weight481.50 g/mol
Exact Mass481.17
IUPAC Name3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum
SMILESCOc1nn(C(C)C)c(C(C)C(C)C)c1-c1ccccc1.[Pt]
InChIInChI=1S/C18H26N2O.Pt/c1-12(2)14(5)17-16(15-10-8-7-9-11-15)18(21-6)19-20(17)13(3)4;/h7-14H,1-6H3;
InChIKeyNYJAFEGZBDQERW-UHFFFAOYSA-N
XLogP4.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum?
The IUPAC name of 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum (CID 153442122) is 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum.
What is the SMILES notation for 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum?
The canonical SMILES for 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum is COc1nn(C(C)C)c(C(C)C(C)C)c1-c1ccccc1.[Pt].
What is the InChIKey of 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum?
The InChIKey is NYJAFEGZBDQERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O.Pt/c1-12(2)14(5)17-16(15-10-8-7-9-11-15)18(21-6)19-20(17)13(3)4;/h7-14H,1-6H3;.
What are the key properties of 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum?
3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum has a molecular weight of 481.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(3-methylbutan-2-yl)-4-phenyl-1-propan-2-ylpyrazole;platinum is sourced from PubChem (CID 153442122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).