4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one

C15H14N4O — CID 162673073

IUPAC4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2C)n1
InChIInChI=1S/C15H14N4O/c1-10-8-14(20)17-15(16-10)19-11(2)9-13(18-19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20)
InChIKeyNQBGJTPMACDSQQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds2

About 4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one

4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one (PubChem CID 162673073) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one
PubChem CID162673073
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2C)n1
InChIInChI=1S/C15H14N4O/c1-10-8-14(20)17-15(16-10)19-11(2)9-13(18-19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20)
InChIKeyNQBGJTPMACDSQQ-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-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one (CID 162673073) is 4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc(-c3ccccc3)cc2C)n1.
What is the InChIKey of 4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one?
The InChIKey is NQBGJTPMACDSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-8-14(20)17-15(16-10)19-11(2)9-13(18-19)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,17,20).
What are the key properties of 4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one?
4-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-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-methyl-2-(5-methyl-3-phenylpyrazol-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162673073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).