N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C19H19N5O3 — CID 60589995

IUPACN-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C19H19N5O3/c1-11-10-14(27-19-20-8-5-9-21-19)6-7-15(11)22-18(26)17(25)16-12(2)23-24(4)13(16)3/h5-10H,1-4H3,(H,22,26)
InChIKeyURTOBYAIWUFNNG-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.75
Rot. Bonds5

About N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 60589995) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID60589995
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C19H19N5O3/c1-11-10-14(27-19-20-8-5-9-21-19)6-7-15(11)22-18(26)17(25)16-12(2)23-24(4)13(16)3/h5-10H,1-4H3,(H,22,26)
InChIKeyURTOBYAIWUFNNG-UHFFFAOYSA-N
XLogP2.75
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 60589995) is N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is URTOBYAIWUFNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-11-10-14(27-19-20-8-5-9-21-19)6-7-15(11)22-18(26)17(25)16-12(2)23-24(4)13(16)3/h5-10H,1-4H3,(H,22,26).
What are the key properties of N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 365.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 60589995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).