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

C10H12N4O — CID 136692282

IUPAC5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(-c2cnn(C)c2)nc[nH]c1=O
InChIInChI=1S/C10H12N4O/c1-3-8-9(11-6-12-10(8)15)7-4-13-14(2)5-7/h4-6H,3H2,1-2H3,(H,11,12,15)
InChIKeyQSEDHMCCBVTRGF-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.73
Rot. Bonds2

About 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136692282) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136692282
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCc1c(-c2cnn(C)c2)nc[nH]c1=O
InChIInChI=1S/C10H12N4O/c1-3-8-9(11-6-12-10(8)15)7-4-13-14(2)5-7/h4-6H,3H2,1-2H3,(H,11,12,15)
InChIKeyQSEDHMCCBVTRGF-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 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136692282) is 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is CCc1c(-c2cnn(C)c2)nc[nH]c1=O.
What is the InChIKey of 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is QSEDHMCCBVTRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-3-8-9(11-6-12-10(8)15)7-4-13-14(2)5-7/h4-6H,3H2,1-2H3,(H,11,12,15).
What are the key properties of 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
5-ethyl-4-(1-methylpyrazol-4-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 5-ethyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).