2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide

C18H19N5O2 — CID 158179627

IUPAC2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cc1cnc(-n2cccn2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-13(2)23(15-7-4-3-5-8-15)16(24)11-14-12-19-18(21-17(14)25)22-10-6-9-20-22/h3-10,12-13H,11H2,1-2H3,(H,19,21,25)
InChIKeyFYKPFJXWSZRBDG-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.94
Rot. Bonds5

About 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide

2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide (PubChem CID 158179627) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide
PubChem CID158179627
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cc1cnc(-n2cccn2)[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-13(2)23(15-7-4-3-5-8-15)16(24)11-14-12-19-18(21-17(14)25)22-10-6-9-20-22/h3-10,12-13H,11H2,1-2H3,(H,19,21,25)
InChIKeyFYKPFJXWSZRBDG-UHFFFAOYSA-N
XLogP1.94
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide (CID 158179627) is 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)Cc1cnc(-n2cccn2)[nH]c1=O)c1ccccc1.
What is the InChIKey of 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is FYKPFJXWSZRBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13(2)23(15-7-4-3-5-8-15)16(24)11-14-12-19-18(21-17(14)25)22-10-6-9-20-22/h3-10,12-13H,11H2,1-2H3,(H,19,21,25).
What are the key properties of 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide?
2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 337.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 158179627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).