N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide

C17H22N4O2 — CID 134048516

IUPACN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C(C)n2cccn2)c(C)c1
InChIInChI=1S/C17H22N4O2/c1-11-8-12(2)16(13(3)9-11)20-15(22)10-18-17(23)14(4)21-7-5-6-19-21/h5-9,14H,10H2,1-4H3,(H,18,23)(H,20,22)
InChIKeyAWEGFZXTWXFDDC-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.12
Rot. Bonds5

About N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 134048516) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID134048516
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C(C)n2cccn2)c(C)c1
InChIInChI=1S/C17H22N4O2/c1-11-8-12(2)16(13(3)9-11)20-15(22)10-18-17(23)14(4)21-7-5-6-19-21/h5-9,14H,10H2,1-4H3,(H,18,23)(H,20,22)
InChIKeyAWEGFZXTWXFDDC-UHFFFAOYSA-N
XLogP2.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113252041
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
(2S)-2-amino-3,3-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide;hydrochloride
CID 119685639
N-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46440829
N-[2-(furan-2-yl)-2-pyrazol-1-ylethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 122266237
(3S)-N-(3,5-dimethylphenyl)-3-pyrazol-1-ylbutanamide
CID 92708031
methyl 4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoate
CID 42887736

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide (CID 134048516) is N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide is Cc1cc(C)c(NC(=O)CNC(=O)C(C)n2cccn2)c(C)c1.
What is the InChIKey of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is AWEGFZXTWXFDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-8-12(2)16(13(3)9-11)20-15(22)10-18-17(23)14(4)21-7-5-6-19-21/h5-9,14H,10H2,1-4H3,(H,18,23)(H,20,22).
What are the key properties of N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide?
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134048516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).