N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide

C23H21N5O — CID 45177485

IUPACN-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1ccc(-c2cccc(-c3cncnc3)c2)n1)c1ccccc1
InChIInChI=1S/C23H21N5O/c1-17(18-6-3-2-4-7-18)26-23(29)15-28-11-10-22(27-28)20-9-5-8-19(12-20)21-13-24-16-25-14-21/h2-14,16-17H,15H2,1H3,(H,26,29)
InChIKeyDKPVRSQOYWXGFN-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.88
Rot. Bonds6

About N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide

N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide (PubChem CID 45177485) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide
PubChem CID45177485
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1ccc(-c2cccc(-c3cncnc3)c2)n1)c1ccccc1
InChIInChI=1S/C23H21N5O/c1-17(18-6-3-2-4-7-18)26-23(29)15-28-11-10-22(27-28)20-9-5-8-19(12-20)21-13-24-16-25-14-21/h2-14,16-17H,15H2,1H3,(H,26,29)
InChIKeyDKPVRSQOYWXGFN-UHFFFAOYSA-N
XLogP3.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
2-(6-oxo-5-phenylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 166429061
2-[4-(3,4-dimethoxyphenyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 167845747
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
N-[2-(1-phenylethyl)pyrazol-3-yl]-2-(3-pyridin-3-ylpyrazol-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 154886751
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
1-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502242
3-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
CID 51366015
2-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]-N-pyrazin-2-ylacetamide
CID 30869523
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide (CID 45177485) is N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide is CC(NC(=O)Cn1ccc(-c2cccc(-c3cncnc3)c2)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide?
The InChIKey is DKPVRSQOYWXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-17(18-6-3-2-4-7-18)26-23(29)15-28-11-10-22(27-28)20-9-5-8-19(12-20)21-13-24-16-25-14-21/h2-14,16-17H,15H2,1H3,(H,26,29).
What are the key properties of N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide?
N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[3-(3-pyrimidin-5-ylphenyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 45177485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).