1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen

C6H10N2O — CID 142236647

IUPAC1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen
SMILESCC(=O)c1cn[nH]c1C.[H][H]
InChIInChI=1S/C6H8N2O.H2/c1-4-6(5(2)9)3-7-8-4;/h3H,1-2H3,(H,7,8);1H
InChIKeyBIRDRVMYFUQVLM-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.17
Rot. Bonds1

About 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen

1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen (PubChem CID 142236647) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen
PubChem CID142236647
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen
SMILESCC(=O)c1cn[nH]c1C.[H][H]
InChIInChI=1S/C6H8N2O.H2/c1-4-6(5(2)9)3-7-8-4;/h3H,1-2H3,(H,7,8);1H
InChIKeyBIRDRVMYFUQVLM-UHFFFAOYSA-N
XLogP1.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen (CID 142236647) is 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen is CC(=O)c1cn[nH]c1C.[H][H].
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen?
The InChIKey is BIRDRVMYFUQVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.H2/c1-4-6(5(2)9)3-7-8-4;/h3H,1-2H3,(H,7,8);1H.
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen?
1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen has a molecular weight of 126.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)ethanone;molecular hydrogen is sourced from PubChem (CID 142236647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).