2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

C12H16N4O — CID 162667485

IUPAC2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(CC)n(-c2nc(C)cc(=O)[nH]2)n1
InChIInChI=1S/C12H16N4O/c1-4-9-7-10(5-2)16(15-9)12-13-8(3)6-11(17)14-12/h6-7H,4-5H2,1-3H3,(H,13,14,17)
InChIKeyMCRWKRJCNDPUOZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.39
Rot. Bonds3

About 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one

2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 162667485) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID162667485
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(CC)n(-c2nc(C)cc(=O)[nH]2)n1
InChIInChI=1S/C12H16N4O/c1-4-9-7-10(5-2)16(15-9)12-13-8(3)6-11(17)14-12/h6-7H,4-5H2,1-3H3,(H,13,14,17)
InChIKeyMCRWKRJCNDPUOZ-UHFFFAOYSA-N
XLogP1.39
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,6-pyrimidinediol
CID 1210988
3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-1,2,4-triazin-5-ol
CID 135447992
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-isopropylpyrimidin-4(3H)-one
CID 135984534
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135892137
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135984533
2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136740737
2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162645681
4-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrimidin-6-one
CID 162655129

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one (CID 162667485) is 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is CCc1cc(CC)n(-c2nc(C)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MCRWKRJCNDPUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-9-7-10(5-2)16(15-9)12-13-8(3)6-11(17)14-12/h6-7H,4-5H2,1-3H3,(H,13,14,17).
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one?
2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 162667485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).