4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole

C17H24N2O — CID 153413693

IUPAC4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole
SMILESCOc1c(C)c(C)c(C)c(C)c1-c1cnn(C(C)C)c1
InChIInChI=1S/C17H24N2O/c1-10(2)19-9-15(8-18-19)16-13(5)11(3)12(4)14(6)17(16)20-7/h8-10H,1-7H3
InChIKeyMPLSHMNOTHUFRW-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.37
Rot. Bonds3

About 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole

4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole (PubChem CID 153413693) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole
PubChem CID153413693
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole
SMILESCOc1c(C)c(C)c(C)c(C)c1-c1cnn(C(C)C)c1
InChIInChI=1S/C17H24N2O/c1-10(2)19-9-15(8-18-19)16-13(5)11(3)12(4)14(6)17(16)20-7/h8-10H,1-7H3
InChIKeyMPLSHMNOTHUFRW-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole (CID 153413693) is 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole is COc1c(C)c(C)c(C)c(C)c1-c1cnn(C(C)C)c1.
What is the InChIKey of 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole?
The InChIKey is MPLSHMNOTHUFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-10(2)19-9-15(8-18-19)16-13(5)11(3)12(4)14(6)17(16)20-7/h8-10H,1-7H3.
What are the key properties of 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole?
4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole has a molecular weight of 272.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,4,5,6-tetramethylphenyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 153413693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).