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

C10H12N4O — CID 137068959

IUPAC2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccnn2C)cc(=O)[nH]1
InChIInChI=1S/C10H12N4O/c1-3-9-12-7(6-10(15)13-9)8-4-5-11-14(8)2/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyKJEOHJDSHUXSBJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.73
Rot. Bonds2

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

2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137068959) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137068959
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccnn2C)cc(=O)[nH]1
InChIInChI=1S/C10H12N4O/c1-3-9-12-7(6-10(15)13-9)8-4-5-11-14(8)2/h4-6H,3H2,1-2H3,(H,12,13,15)
InChIKeyKJEOHJDSHUXSBJ-UHFFFAOYSA-N
XLogP0.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137068959) is 2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is CCc1nc(-c2ccnn2C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is KJEOHJDSHUXSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-9-12-7(6-10(15)13-9)8-4-5-11-14(8)2/h4-6H,3H2,1-2H3,(H,12,13,15).
What are the key properties of 2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 204.23 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137068959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).