2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one

C13H18N4O — CID 136920201

IUPAC2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1nn(C)cc1-c1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H18N4O/c1-5-10-9(7-17(4)16-10)13-14-11(8(2)3)6-12(18)15-13/h6-8H,5H2,1-4H3,(H,14,15,18)
InChIKeyAJAHKATZYXHTOO-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.86
Rot. Bonds3

About 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one

2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136920201) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136920201
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCc1nn(C)cc1-c1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H18N4O/c1-5-10-9(7-17(4)16-10)13-14-11(8(2)3)6-12(18)15-13/h6-8H,5H2,1-4H3,(H,14,15,18)
InChIKeyAJAHKATZYXHTOO-UHFFFAOYSA-N
XLogP1.86
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136920201) is 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one is CCc1nn(C)cc1-c1nc(C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AJAHKATZYXHTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-5-10-9(7-17(4)16-10)13-14-11(8(2)3)6-12(18)15-13/h6-8H,5H2,1-4H3,(H,14,15,18).
What are the key properties of 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 246.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-4-yl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136920201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).