4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one

C15H14N4O — CID 162648550

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one
SMILESCc1cc(C)n(-c2cc(-c3ccccc3)[nH]c(=O)n2)n1
InChIInChI=1S/C15H14N4O/c1-10-8-11(2)19(18-10)14-9-13(16-15(20)17-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20)
InChIKeyFHWXPLVEZVCYKB-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one

4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one (PubChem CID 162648550) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one
PubChem CID162648550
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one
SMILESCc1cc(C)n(-c2cc(-c3ccccc3)[nH]c(=O)n2)n1
InChIInChI=1S/C15H14N4O/c1-10-8-11(2)19(18-10)14-9-13(16-15(20)17-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20)
InChIKeyFHWXPLVEZVCYKB-UHFFFAOYSA-N
XLogP2.24
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one (CID 162648550) is 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one is Cc1cc(C)n(-c2cc(-c3ccccc3)[nH]c(=O)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one?
The InChIKey is FHWXPLVEZVCYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-8-11(2)19(18-10)14-9-13(16-15(20)17-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one?
4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 162648550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).