4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one

C15H14N4O2 — CID 135439812

IUPAC4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2[nH]c(-c3ccccc3)cc2=O)n1
InChIInChI=1S/C15H14N4O2/c1-2-11-8-13(20)17-15(16-11)19-14(21)9-12(18-19)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,16,17,20)
InChIKeyLFBXECGVUXNYCR-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.48
Rot. Bonds3

About 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one

4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 135439812) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
PubChem CID135439812
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2[nH]c(-c3ccccc3)cc2=O)n1
InChIInChI=1S/C15H14N4O2/c1-2-11-8-13(20)17-15(16-11)19-14(21)9-12(18-19)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,16,17,20)
InChIKeyLFBXECGVUXNYCR-UHFFFAOYSA-N
XLogP1.48
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one (CID 135439812) is 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2[nH]c(-c3ccccc3)cc2=O)n1.
What is the InChIKey of 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is LFBXECGVUXNYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-11-8-13(20)17-15(16-11)19-14(21)9-12(18-19)10-6-4-3-5-7-10/h3-9,18H,2H2,1H3,(H,16,17,20).
What are the key properties of 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one?
4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 282.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-oxo-5-phenyl-1H-pyrazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135439812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).