5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole

C17H24N2O — CID 153441144

IUPAC5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole
SMILESCOc1nn(C(C)C)c(C(C)(C)C)c1-c1ccccc1
InChIInChI=1S/C17H24N2O/c1-12(2)19-15(17(3,4)5)14(16(18-19)20-6)13-10-8-7-9-11-13/h7-12H,1-6H3
InChIKeySPUVUFWTEJFSQO-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.44
Rot. Bonds3

About 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole

5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole (PubChem CID 153441144) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole
PubChem CID153441144
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole
SMILESCOc1nn(C(C)C)c(C(C)(C)C)c1-c1ccccc1
InChIInChI=1S/C17H24N2O/c1-12(2)19-15(17(3,4)5)14(16(18-19)20-6)13-10-8-7-9-11-13/h7-12H,1-6H3
InChIKeySPUVUFWTEJFSQO-UHFFFAOYSA-N
XLogP4.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole?
The IUPAC name of 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole (CID 153441144) is 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole is COc1nn(C(C)C)c(C(C)(C)C)c1-c1ccccc1.
What is the InChIKey of 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole?
The InChIKey is SPUVUFWTEJFSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)19-15(17(3,4)5)14(16(18-19)20-6)13-10-8-7-9-11-13/h7-12H,1-6H3.
What are the key properties of 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole?
5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole has a molecular weight of 272.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methoxy-4-phenyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 153441144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).