4-methyl-5-(2-methylpropoxy)-1H-pyrazole

C8H14N2O — CID 121252026

IUPAC4-methyl-5-(2-methylpropoxy)-1H-pyrazole
SMILESCc1cn[nH]c1OCC(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)5-11-8-7(3)4-9-10-8/h4,6H,5H2,1-3H3,(H,9,10)
InChIKeyMULLMDMRAQEYMF-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.75
Rot. Bonds3

About 4-methyl-5-(2-methylpropoxy)-1H-pyrazole

4-methyl-5-(2-methylpropoxy)-1H-pyrazole (PubChem CID 121252026) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropoxy)-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropoxy)-1H-pyrazole
PubChem CID121252026
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-methyl-5-(2-methylpropoxy)-1H-pyrazole
SMILESCc1cn[nH]c1OCC(C)C
InChIInChI=1S/C8H14N2O/c1-6(2)5-11-8-7(3)4-9-10-8/h4,6H,5H2,1-3H3,(H,9,10)
InChIKeyMULLMDMRAQEYMF-UHFFFAOYSA-N
XLogP1.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropoxy)-1H-pyrazole?
The IUPAC name of 4-methyl-5-(2-methylpropoxy)-1H-pyrazole (CID 121252026) is 4-methyl-5-(2-methylpropoxy)-1H-pyrazole.
What is the SMILES notation for 4-methyl-5-(2-methylpropoxy)-1H-pyrazole?
The canonical SMILES for 4-methyl-5-(2-methylpropoxy)-1H-pyrazole is Cc1cn[nH]c1OCC(C)C.
What is the InChIKey of 4-methyl-5-(2-methylpropoxy)-1H-pyrazole?
The InChIKey is MULLMDMRAQEYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6(2)5-11-8-7(3)4-9-10-8/h4,6H,5H2,1-3H3,(H,9,10).
What are the key properties of 4-methyl-5-(2-methylpropoxy)-1H-pyrazole?
4-methyl-5-(2-methylpropoxy)-1H-pyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropoxy)-1H-pyrazole is sourced from PubChem (CID 121252026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).