2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

C15H14N4O2 — CID 79570867

IUPAC2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2nc(O)c(-c3ccccc3)c(=O)[nH]2)cnn1C
InChIInChI=1S/C15H14N4O2/c1-9-11(8-16-19(9)2)13-17-14(20)12(15(21)18-13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,17,18,20,21)
InChIKeyYCJVYDOPBMGERI-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.85
Rot. Bonds2

About 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one

2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (PubChem CID 79570867) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
PubChem CID79570867
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2nc(O)c(-c3ccccc3)c(=O)[nH]2)cnn1C
InChIInChI=1S/C15H14N4O2/c1-9-11(8-16-19(9)2)13-17-14(20)12(15(21)18-13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,17,18,20,21)
InChIKeyYCJVYDOPBMGERI-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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one (CID 79570867) is 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is Cc1c(-c2nc(O)c(-c3ccccc3)c(=O)[nH]2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is YCJVYDOPBMGERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-11(8-16-19(9)2)13-17-14(20)12(15(21)18-13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H2,17,18,20,21).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one?
2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-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 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79570867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).