imidazol-2-one;1H-pyrazole

C6H6N4O — CID 161454363

IUPACimidazol-2-one;1H-pyrazole
SMILESO=C1N=CC=N1.c1cn[nH]c1
InChIInChI=1S/C3H2N2O.C3H4N2/c6-3-4-1-2-5-3;1-2-4-5-3-1/h1-2H;1-3H,(H,4,5)
InChIKeyWAYMLHJBBABLLS-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.67
Rot. Bonds

About imidazol-2-one;1H-pyrazole

imidazol-2-one;1H-pyrazole (PubChem CID 161454363) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is imidazol-2-one;1H-pyrazole.

Molecular Properties

Compound Nameimidazol-2-one;1H-pyrazole
PubChem CID161454363
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Nameimidazol-2-one;1H-pyrazole
SMILESO=C1N=CC=N1.c1cn[nH]c1
InChIInChI=1S/C3H2N2O.C3H4N2/c6-3-4-1-2-5-3;1-2-4-5-3-1/h1-2H;1-3H,(H,4,5)
InChIKeyWAYMLHJBBABLLS-UHFFFAOYSA-N
XLogP0.67
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of imidazol-2-one;1H-pyrazole?
The IUPAC name of imidazol-2-one;1H-pyrazole (CID 161454363) is imidazol-2-one;1H-pyrazole.
What is the SMILES notation for imidazol-2-one;1H-pyrazole?
The canonical SMILES for imidazol-2-one;1H-pyrazole is O=C1N=CC=N1.c1cn[nH]c1.
What is the InChIKey of imidazol-2-one;1H-pyrazole?
The InChIKey is WAYMLHJBBABLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N2O.C3H4N2/c6-3-4-1-2-5-3;1-2-4-5-3-1/h1-2H;1-3H,(H,4,5).
What are the key properties of imidazol-2-one;1H-pyrazole?
imidazol-2-one;1H-pyrazole has a molecular weight of 150.14 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-2-one;1H-pyrazole is sourced from PubChem (CID 161454363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).