N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide

C21H17N5O2 — CID 53493908

IUPACN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C21H17N5O2/c27-19(13-15-7-9-17(10-8-15)16-5-2-1-3-6-16)24-18-14-22-21(25-20(18)28)26-12-4-11-23-26/h1-12,14H,13H2,(H,24,27)(H,22,25,28)
InChIKeyIVVGUPBQCNZMHZ-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.80
Rot. Bonds5

About N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide

N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide (PubChem CID 53493908) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide
PubChem CID53493908
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C21H17N5O2/c27-19(13-15-7-9-17(10-8-15)16-5-2-1-3-6-16)24-18-14-22-21(25-20(18)28)26-12-4-11-23-26/h1-12,14H,13H2,(H,24,27)(H,22,25,28)
InChIKeyIVVGUPBQCNZMHZ-UHFFFAOYSA-N
XLogP2.80
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide (CID 53493908) is N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide?
The InChIKey is IVVGUPBQCNZMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-19(13-15-7-9-17(10-8-15)16-5-2-1-3-6-16)24-18-14-22-21(25-20(18)28)26-12-4-11-23-26/h1-12,14H,13H2,(H,24,27)(H,22,25,28).
What are the key properties of N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide?
N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 53493908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).