4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C15H14N4O2 — CID 114553938

IUPAC4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2c(O)nc(-c3ccnn3C)[nH]c2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-9-3-5-10(6-4-9)12-14(20)17-13(18-15(12)21)11-7-8-16-19(11)2/h3-8H,1-2H3,(H2,17,18,20,21)
InChIKeyISWAQTAAGYZXON-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.85
Rot. Bonds2

About 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one

4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 114553938) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID114553938
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2c(O)nc(-c3ccnn3C)[nH]c2=O)cc1
InChIInChI=1S/C15H14N4O2/c1-9-3-5-10(6-4-9)12-14(20)17-13(18-15(12)21)11-7-8-16-19(11)2/h3-8H,1-2H3,(H2,17,18,20,21)
InChIKeyISWAQTAAGYZXON-UHFFFAOYSA-N
XLogP1.85
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-5-(4-methylphenyl)-2-thiophen-3-yl-1H-pyrimidin-6-one
CID 79436382
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005312
2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 79570867
5-(2-hydroxyethyl)-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005311
2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79436574
2-(2-ethylpyrazol-3-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 114556573
4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
1-methyl-5-(2-methylpyrazol-3-yl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135623940
5-(4-bromophenyl)-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 103119900
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
2-butan-2-yl-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79437123
4-hydroxy-5-(4-methylphenyl)-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
CID 79435826

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 114553938) is 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cc1ccc(-c2c(O)nc(-c3ccnn3C)[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is ISWAQTAAGYZXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-3-5-10(6-4-9)12-14(20)17-13(18-15(12)21)11-7-8-16-19(11)2/h3-8H,1-2H3,(H2,17,18,20,21).
What are the key properties of 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 282.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(4-methylphenyl)-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114553938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).