2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide

C23H28N4O — CID 56580511

IUPAC2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(-n2nc(C)cc2C)c1)c1ccccc1
InChIInChI=1S/C23H28N4O/c1-5-26(6-2)22(19-11-8-7-9-12-19)23(28)24-20-13-10-14-21(16-20)27-18(4)15-17(3)25-27/h7-16,22H,5-6H2,1-4H3,(H,24,28)
InChIKeyPVYIRRYSMPIHFM-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.51
Rot. Bonds7

About 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide

2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide (PubChem CID 56580511) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide
PubChem CID56580511
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1cccc(-n2nc(C)cc2C)c1)c1ccccc1
InChIInChI=1S/C23H28N4O/c1-5-26(6-2)22(19-11-8-7-9-12-19)23(28)24-20-13-10-14-21(16-20)27-18(4)15-17(3)25-27/h7-16,22H,5-6H2,1-4H3,(H,24,28)
InChIKeyPVYIRRYSMPIHFM-UHFFFAOYSA-N
XLogP4.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-N-[3-(5-methylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56538997
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pentanamide
CID 119294783
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-methylpentanamide;hydrochloride
CID 119733250
2-(diethylamino)-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 56538563
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 111790628
2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide
CID 56540512
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 78891330
2-(diethylamino)-2-phenyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 56538244
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 87039966

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide (CID 56580511) is 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide is CCN(CC)C(C(=O)Nc1cccc(-n2nc(C)cc2C)c1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide?
The InChIKey is PVYIRRYSMPIHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-5-26(6-2)22(19-11-8-7-9-12-19)23(28)24-20-13-10-14-21(16-20)27-18(4)15-17(3)25-27/h7-16,22H,5-6H2,1-4H3,(H,24,28).
What are the key properties of 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide?
2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 376.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 56580511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).