3-ethoxy-5-methyl-1H-pyrazole;hydrochloride

C6H11ClN2O — CID 53398899

IUPAC3-ethoxy-5-methyl-1H-pyrazole;hydrochloride
SMILESCCOc1cc(C)[nH]n1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-3-9-6-4-5(2)7-8-6;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyUUEKWBHKWFMZKK-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.54
Rot. Bonds2

About 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride

3-ethoxy-5-methyl-1H-pyrazole;hydrochloride (PubChem CID 53398899) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-5-methyl-1H-pyrazole;hydrochloride
PubChem CID53398899
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name3-ethoxy-5-methyl-1H-pyrazole;hydrochloride
SMILESCCOc1cc(C)[nH]n1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-3-9-6-4-5(2)7-8-6;/h4H,3H2,1-2H3,(H,7,8);1H
InChIKeyUUEKWBHKWFMZKK-UHFFFAOYSA-N
XLogP1.54
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride?
The IUPAC name of 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride (CID 53398899) is 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride?
The canonical SMILES for 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride is CCOc1cc(C)[nH]n1.Cl.
What is the InChIKey of 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride?
The InChIKey is UUEKWBHKWFMZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c1-3-9-6-4-5(2)7-8-6;/h4H,3H2,1-2H3,(H,7,8);1H.
What are the key properties of 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride?
3-ethoxy-5-methyl-1H-pyrazole;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methyl-1H-pyrazole;hydrochloride is sourced from PubChem (CID 53398899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).