2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole

C16H26N2O — CID 159415287

IUPAC2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole
SMILESCc1ccn(C(C)C)n1.Cc1coc(C)c1C(C)C
InChIInChI=1S/C9H14O.C7H12N2/c1-6(2)9-7(3)5-10-8(9)4;1-6(2)9-5-4-7(3)8-9/h5-6H,1-4H3;4-6H,1-3H3
InChIKeyLPBWXJAYLHHPFN-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.79
Rot. Bonds2

About 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole

2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole (PubChem CID 159415287) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole
PubChem CID159415287
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole
SMILESCc1ccn(C(C)C)n1.Cc1coc(C)c1C(C)C
InChIInChI=1S/C9H14O.C7H12N2/c1-6(2)9-7(3)5-10-8(9)4;1-6(2)9-5-4-7(3)8-9/h5-6H,1-4H3;4-6H,1-3H3
InChIKeyLPBWXJAYLHHPFN-UHFFFAOYSA-N
XLogP4.79
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole (CID 159415287) is 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole is Cc1ccn(C(C)C)n1.Cc1coc(C)c1C(C)C.
What is the InChIKey of 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole?
The InChIKey is LPBWXJAYLHHPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C7H12N2/c1-6(2)9-7(3)5-10-8(9)4;1-6(2)9-5-4-7(3)8-9/h5-6H,1-4H3;4-6H,1-3H3.
What are the key properties of 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole?
2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole has a molecular weight of 262.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-propan-2-ylfuran;3-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 159415287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).