4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

C7H6N4O — CID 166701141

IUPAC4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cn[nH]c2)nc[nH]1
InChIInChI=1S/C7H6N4O/c12-7-1-6(8-4-9-7)5-2-10-11-3-5/h1-4H,(H,10,11)(H,8,9,12)
InChIKeyMXNRNJPWLDCCBL-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.16
Rot. Bonds1

About 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 166701141) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID166701141
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cn[nH]c2)nc[nH]1
InChIInChI=1S/C7H6N4O/c12-7-1-6(8-4-9-7)5-2-10-11-3-5/h1-4H,(H,10,11)(H,8,9,12)
InChIKeyMXNRNJPWLDCCBL-UHFFFAOYSA-N
XLogP0.16
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (CID 166701141) is 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is O=c1cc(-c2cn[nH]c2)nc[nH]1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is MXNRNJPWLDCCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-7-1-6(8-4-9-7)5-2-10-11-3-5/h1-4H,(H,10,11)(H,8,9,12).
What are the key properties of 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 162.15 g/mol, XLogP of 0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 166701141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).