2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one

C21H18N4O — CID 167787919

IUPAC2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)[nH]c(=O)c1C
InChIInChI=1S/C21H18N4O/c1-14-15(2)22-21(23-20(14)26)25-19(17-11-7-4-8-12-17)13-18(24-25)16-9-5-3-6-10-16/h3-13H,1-2H3,(H,22,23,26)
InChIKeyNLFKIMYVTUUFOP-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.91
Rot. Bonds3

About 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one

2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 167787919) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID167787919
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)[nH]c(=O)c1C
InChIInChI=1S/C21H18N4O/c1-14-15(2)22-21(23-20(14)26)25-19(17-11-7-4-8-12-17)13-18(24-25)16-9-5-3-6-10-16/h3-13H,1-2H3,(H,22,23,26)
InChIKeyNLFKIMYVTUUFOP-UHFFFAOYSA-N
XLogP3.91
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one (CID 167787919) is 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)[nH]c(=O)c1C.
What is the InChIKey of 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NLFKIMYVTUUFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-14-15(2)22-21(23-20(14)26)25-19(17-11-7-4-8-12-17)13-18(24-25)16-9-5-3-6-10-16/h3-13H,1-2H3,(H,22,23,26).
What are the key properties of 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 342.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylpyrazol-1-yl)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 167787919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).