5-ethoxy-1H-pyrazole;hydrochloride

C5H9ClN2O — CID 174906151

IUPAC5-ethoxy-1H-pyrazole;hydrochloride
SMILESCCOc1ccn[nH]1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-2-8-5-3-4-6-7-5;/h3-4H,2H2,1H3,(H,6,7);1H
InChIKeyABCODIQBTXMRKF-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.23
Rot. Bonds2

About 5-ethoxy-1H-pyrazole;hydrochloride

5-ethoxy-1H-pyrazole;hydrochloride (PubChem CID 174906151) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is 5-ethoxy-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-ethoxy-1H-pyrazole;hydrochloride
PubChem CID174906151
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name5-ethoxy-1H-pyrazole;hydrochloride
SMILESCCOc1ccn[nH]1.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-2-8-5-3-4-6-7-5;/h3-4H,2H2,1H3,(H,6,7);1H
InChIKeyABCODIQBTXMRKF-UHFFFAOYSA-N
XLogP1.23
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole
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4-ethoxy-6-(1H-pyrazol-5-yl)pteridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1H-pyrazole;hydrochloride?
The IUPAC name of 5-ethoxy-1H-pyrazole;hydrochloride (CID 174906151) is 5-ethoxy-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-ethoxy-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-ethoxy-1H-pyrazole;hydrochloride is CCOc1ccn[nH]1.Cl.
What is the InChIKey of 5-ethoxy-1H-pyrazole;hydrochloride?
The InChIKey is ABCODIQBTXMRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c1-2-8-5-3-4-6-7-5;/h3-4H,2H2,1H3,(H,6,7);1H.
What are the key properties of 5-ethoxy-1H-pyrazole;hydrochloride?
5-ethoxy-1H-pyrazole;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1H-pyrazole;hydrochloride is sourced from PubChem (CID 174906151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).