4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one

C10H12N4O — CID 79822388

IUPAC4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
SMILESCCC1C(=O)N(c2ccncn2)N=C1C
InChIInChI=1S/C10H12N4O/c1-3-8-7(2)13-14(10(8)15)9-4-5-11-6-12-9/h4-6,8H,3H2,1-2H3
InChIKeyGVSSRBKQINSTBW-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.23
Rot. Bonds2

About 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one

4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one (PubChem CID 79822388) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
PubChem CID79822388
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one
SMILESCCC1C(=O)N(c2ccncn2)N=C1C
InChIInChI=1S/C10H12N4O/c1-3-8-7(2)13-14(10(8)15)9-4-5-11-6-12-9/h4-6,8H,3H2,1-2H3
InChIKeyGVSSRBKQINSTBW-UHFFFAOYSA-N
XLogP1.23
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one?
The IUPAC name of 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one (CID 79822388) is 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one.
What is the SMILES notation for 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one?
The canonical SMILES for 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one is CCC1C(=O)N(c2ccncn2)N=C1C.
What is the InChIKey of 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one?
The InChIKey is GVSSRBKQINSTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-8-7(2)13-14(10(8)15)9-4-5-11-6-12-9/h4-6,8H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one?
4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-pyrimidin-4-yl-4H-pyrazol-3-one is sourced from PubChem (CID 79822388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).