5-ethoxy-4-methyl-1H-pyrazole

C6H10N2O — CID 68572526

IUPAC5-ethoxy-4-methyl-1H-pyrazole
SMILESCCOc1[nH]ncc1C
InChIInChI=1S/C6H10N2O/c1-3-9-6-5(2)4-7-8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyHPQUNKRULJQZON-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.12
Rot. Bonds2

About 5-ethoxy-4-methyl-1H-pyrazole

5-ethoxy-4-methyl-1H-pyrazole (PubChem CID 68572526) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 5-ethoxy-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-ethoxy-4-methyl-1H-pyrazole
PubChem CID68572526
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name5-ethoxy-4-methyl-1H-pyrazole
SMILESCCOc1[nH]ncc1C
InChIInChI=1S/C6H10N2O/c1-3-9-6-5(2)4-7-8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKeyHPQUNKRULJQZON-UHFFFAOYSA-N
XLogP1.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methyl-1H-pyrazole?
The IUPAC name of 5-ethoxy-4-methyl-1H-pyrazole (CID 68572526) is 5-ethoxy-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-ethoxy-4-methyl-1H-pyrazole?
The canonical SMILES for 5-ethoxy-4-methyl-1H-pyrazole is CCOc1[nH]ncc1C.
What is the InChIKey of 5-ethoxy-4-methyl-1H-pyrazole?
The InChIKey is HPQUNKRULJQZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-9-6-5(2)4-7-8-6/h4H,3H2,1-2H3,(H,7,8).
What are the key properties of 5-ethoxy-4-methyl-1H-pyrazole?
5-ethoxy-4-methyl-1H-pyrazole has a molecular weight of 126.16 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methyl-1H-pyrazole is sourced from PubChem (CID 68572526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).