ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole

C10H20N2O — CID 144607378

IUPACethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole
SMILESCC.COc1c(C)cnn1C(C)C
InChIInChI=1S/C8H14N2O.C2H6/c1-6(2)10-8(11-4)7(3)5-9-10;1-2/h5-6H,1-4H3;1-2H3
InChIKeyNHBSEDZLZZHAST-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.81
Rot. Bonds2

About ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole

ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole (PubChem CID 144607378) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Nameethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole
PubChem CID144607378
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Nameethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole
SMILESCC.COc1c(C)cnn1C(C)C
InChIInChI=1S/C8H14N2O.C2H6/c1-6(2)10-8(11-4)7(3)5-9-10;1-2/h5-6H,1-4H3;1-2H3
InChIKeyNHBSEDZLZZHAST-UHFFFAOYSA-N
XLogP2.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole?
The IUPAC name of ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole (CID 144607378) is ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole is CC.COc1c(C)cnn1C(C)C.
What is the InChIKey of ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole?
The InChIKey is NHBSEDZLZZHAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C2H6/c1-6(2)10-8(11-4)7(3)5-9-10;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole?
ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole has a molecular weight of 184.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 144607378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).