2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide

C19H15N5O2 — CID 53493245

IUPAC2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C19H15N5O2/c25-17(11-13-6-7-14-4-1-2-5-15(14)10-13)22-16-12-20-19(23-18(16)26)24-9-3-8-21-24/h1-10,12H,11H2,(H,22,25)(H,20,23,26)
InChIKeyVGOWQMKHVULTGQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.29
Rot. Bonds4

About 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide

2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide (PubChem CID 53493245) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide
PubChem CID53493245
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C19H15N5O2/c25-17(11-13-6-7-14-4-1-2-5-15(14)10-13)22-16-12-20-19(23-18(16)26)24-9-3-8-21-24/h1-10,12H,11H2,(H,22,25)(H,20,23,26)
InChIKeyVGOWQMKHVULTGQ-UHFFFAOYSA-N
XLogP2.29
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide (CID 53493245) is 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide is O=C(Cc1ccc2ccccc2c1)Nc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide?
The InChIKey is VGOWQMKHVULTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-17(11-13-6-7-14-4-1-2-5-15(14)10-13)22-16-12-20-19(23-18(16)26)24-9-3-8-21-24/h1-10,12H,11H2,(H,22,25)(H,20,23,26).
What are the key properties of 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide?
2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide has a molecular weight of 345.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 53493245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).