2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one

C15H14N4O2 — CID 135745003

IUPAC2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one
SMILESCC1=NN(c2nc(-c3ccccc3)cc(=O)[nH]2)C(=O)[C@@H]1C
InChIInChI=1S/C15H14N4O2/c1-9-10(2)18-19(14(9)21)15-16-12(8-13(20)17-15)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,17,20)/t9-/m1/s1
InChIKeyROEAGKHHRISAJF-SECBINFHSA-N
MW282.30 g/mol
LogP1.80
Rot. Bonds2

About 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one

2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135745003) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID135745003
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one
SMILESCC1=NN(c2nc(-c3ccccc3)cc(=O)[nH]2)C(=O)[C@@H]1C
InChIInChI=1S/C15H14N4O2/c1-9-10(2)18-19(14(9)21)15-16-12(8-13(20)17-15)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,17,20)/t9-/m1/s1
InChIKeyROEAGKHHRISAJF-SECBINFHSA-N
XLogP1.80
TPSA78.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

(4R)-4,5-dimethyl-2-(4-phenyl-1,3-thiazol-2-yl)-4H-pyrazol-3-one
CID 794169
2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136780047
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 168704019
4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644799
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-(3-methylphenyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136741001
2-(3-aminophenyl)-4,5-dimethyl-4H-pyrazol-3-one
CID 60996104
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
4,5-dimethyl-2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one
CID 55120669
2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
4-phenyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973722
2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one
CID 135577957

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one (CID 135745003) is 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one is CC1=NN(c2nc(-c3ccccc3)cc(=O)[nH]2)C(=O)[C@@H]1C.
What is the InChIKey of 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is ROEAGKHHRISAJF-SECBINFHSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-10(2)18-19(14(9)21)15-16-12(8-13(20)17-15)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,17,20)/t9-/m1/s1.
What are the key properties of 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one?
2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 282.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-3,4-dimethyl-5-oxo-4H-pyrazol-1-yl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135745003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).