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

C18H20N4O — CID 139016958

IUPAC2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2cccc(Cn3nc(C)cc3C)c2)n1
InChIInChI=1S/C18H20N4O/c1-4-16-10-17(23)20-18(19-16)15-7-5-6-14(9-15)11-22-13(3)8-12(2)21-22/h5-10H,4,11H2,1-3H3,(H,19,20,23)
InChIKeyRUDDSSKGHNCCPM-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.86
Rot. Bonds4

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

2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 139016958) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID139016958
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2cccc(Cn3nc(C)cc3C)c2)n1
InChIInChI=1S/C18H20N4O/c1-4-16-10-17(23)20-18(19-16)15-7-5-6-14(9-15)11-22-13(3)8-12(2)21-22/h5-10H,4,11H2,1-3H3,(H,19,20,23)
InChIKeyRUDDSSKGHNCCPM-UHFFFAOYSA-N
XLogP2.86
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one (CID 139016958) is 2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2cccc(Cn3nc(C)cc3C)c2)n1.
What is the InChIKey of 2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is RUDDSSKGHNCCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-4-16-10-17(23)20-18(19-16)15-7-5-6-14(9-15)11-22-13(3)8-12(2)21-22/h5-10H,4,11H2,1-3H3,(H,19,20,23).
What are the key properties of 2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one?
2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 308.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 139016958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).