2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one

C9H10N4O — CID 168922997

IUPAC2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2nccc(=O)[nH]2)nn1C
InChIInChI=1S/C9H10N4O/c1-6-5-7(12-13(6)2)9-10-4-3-8(14)11-9/h3-5H,1-2H3,(H,10,11,14)
InChIKeyUXBLWTZURGYLRD-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.48
Rot. Bonds1

About 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one

2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 168922997) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID168922997
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2nccc(=O)[nH]2)nn1C
InChIInChI=1S/C9H10N4O/c1-6-5-7(12-13(6)2)9-10-4-3-8(14)11-9/h3-5H,1-2H3,(H,10,11,14)
InChIKeyUXBLWTZURGYLRD-UHFFFAOYSA-N
XLogP0.48
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 168922997) is 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one is Cc1cc(-c2nccc(=O)[nH]2)nn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is UXBLWTZURGYLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-5-7(12-13(6)2)9-10-4-3-8(14)11-9/h3-5H,1-2H3,(H,10,11,14).
What are the key properties of 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one?
2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 190.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 168922997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).