1-(1H-pyrazol-5-yl)ethanone;hydrochloride

C5H7ClN2O — CID 2799623

IUPAC1-(1H-pyrazol-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccn[nH]1.Cl
InChIInChI=1S/C5H6N2O.ClH/c1-4(8)5-2-3-6-7-5;/h2-3H,1H3,(H,6,7);1H
InChIKeyMTFWBEDWXAHBNR-UHFFFAOYSA-N
MW146.58 g/mol
LogP1.03
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)ethanone;hydrochloride

1-(1H-pyrazol-5-yl)ethanone;hydrochloride (PubChem CID 2799623) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)ethanone;hydrochloride
PubChem CID2799623
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name1-(1H-pyrazol-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccn[nH]1.Cl
InChIInChI=1S/C5H6N2O.ClH/c1-4(8)5-2-3-6-7-5;/h2-3H,1H3,(H,6,7);1H
InChIKeyMTFWBEDWXAHBNR-UHFFFAOYSA-N
XLogP1.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)ethanone;hydrochloride?
The IUPAC name of 1-(1H-pyrazol-5-yl)ethanone;hydrochloride (CID 2799623) is 1-(1H-pyrazol-5-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(1H-pyrazol-5-yl)ethanone;hydrochloride is CC(=O)c1ccn[nH]1.Cl.
What is the InChIKey of 1-(1H-pyrazol-5-yl)ethanone;hydrochloride?
The InChIKey is MTFWBEDWXAHBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.ClH/c1-4(8)5-2-3-6-7-5;/h2-3H,1H3,(H,6,7);1H.
What are the key properties of 1-(1H-pyrazol-5-yl)ethanone;hydrochloride?
1-(1H-pyrazol-5-yl)ethanone;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)ethanone;hydrochloride is sourced from PubChem (CID 2799623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).