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

C8H14N2O — CID 146481002

IUPAC5-methoxy-1-methyl-4-propan-2-ylpyrazole
SMILESCOc1c(C(C)C)cnn1C
InChIInChI=1S/C8H14N2O/c1-6(2)7-5-9-10(3)8(7)11-4/h5-6H,1-4H3
InChIKeyNSNZNBUEUVGIPM-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.55
Rot. Bonds2

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

5-methoxy-1-methyl-4-propan-2-ylpyrazole (PubChem CID 146481002) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methoxy-1-methyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-methoxy-1-methyl-4-propan-2-ylpyrazole
PubChem CID146481002
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-methoxy-1-methyl-4-propan-2-ylpyrazole
SMILESCOc1c(C(C)C)cnn1C
InChIInChI=1S/C8H14N2O/c1-6(2)7-5-9-10(3)8(7)11-4/h5-6H,1-4H3
InChIKeyNSNZNBUEUVGIPM-UHFFFAOYSA-N
XLogP1.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-4-propan-2-ylpyrazole?
The IUPAC name of 5-methoxy-1-methyl-4-propan-2-ylpyrazole (CID 146481002) is 5-methoxy-1-methyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 5-methoxy-1-methyl-4-propan-2-ylpyrazole?
The canonical SMILES for 5-methoxy-1-methyl-4-propan-2-ylpyrazole is COc1c(C(C)C)cnn1C.
What is the InChIKey of 5-methoxy-1-methyl-4-propan-2-ylpyrazole?
The InChIKey is NSNZNBUEUVGIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)7-5-9-10(3)8(7)11-4/h5-6H,1-4H3.
What are the key properties of 5-methoxy-1-methyl-4-propan-2-ylpyrazole?
5-methoxy-1-methyl-4-propan-2-ylpyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 146481002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).