1H-pyrazole;1H-pyrimidin-2-one

C7H8N4O — CID 122575382

IUPAC1H-pyrazole;1H-pyrimidin-2-one
SMILESO=c1nccc[nH]1.c1cn[nH]c1
InChIInChI=1S/C4H4N2O.C3H4N2/c7-4-5-2-1-3-6-4;1-2-4-5-3-1/h1-3H,(H,5,6,7);1-3H,(H,4,5)
InChIKeyRGTMHUKTLKJHNW-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.18
Rot. Bonds

About 1H-pyrazole;1H-pyrimidin-2-one

1H-pyrazole;1H-pyrimidin-2-one (PubChem CID 122575382) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1H-pyrazole;1H-pyrimidin-2-one.

Molecular Properties

Compound Name1H-pyrazole;1H-pyrimidin-2-one
PubChem CID122575382
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1H-pyrazole;1H-pyrimidin-2-one
SMILESO=c1nccc[nH]1.c1cn[nH]c1
InChIInChI=1S/C4H4N2O.C3H4N2/c7-4-5-2-1-3-6-4;1-2-4-5-3-1/h1-3H,(H,5,6,7);1-3H,(H,4,5)
InChIKeyRGTMHUKTLKJHNW-UHFFFAOYSA-N
XLogP0.18
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;1H-pyrimidin-2-one?
The IUPAC name of 1H-pyrazole;1H-pyrimidin-2-one (CID 122575382) is 1H-pyrazole;1H-pyrimidin-2-one.
What is the SMILES notation for 1H-pyrazole;1H-pyrimidin-2-one?
The canonical SMILES for 1H-pyrazole;1H-pyrimidin-2-one is O=c1nccc[nH]1.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;1H-pyrimidin-2-one?
The InChIKey is RGTMHUKTLKJHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C3H4N2/c7-4-5-2-1-3-6-4;1-2-4-5-3-1/h1-3H,(H,5,6,7);1-3H,(H,4,5).
What are the key properties of 1H-pyrazole;1H-pyrimidin-2-one?
1H-pyrazole;1H-pyrimidin-2-one has a molecular weight of 164.17 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;1H-pyrimidin-2-one is sourced from PubChem (CID 122575382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).