N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H24N4O — CID 132970684

IUPACN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCN1CC=CCC1
InChIInChI=1S/C15H24N4O/c1-12-14(13(2)18(3)17-12)11-15(20)16-7-10-19-8-5-4-6-9-19/h4-5H,6-11H2,1-3H3,(H,16,20)
InChIKeyPUZLYAMXNOAAQB-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.96
Rot. Bonds5

About N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 132970684) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID132970684
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCCN1CC=CCC1
InChIInChI=1S/C15H24N4O/c1-12-14(13(2)18(3)17-12)11-15(20)16-7-10-19-8-5-4-6-9-19/h4-5H,6-11H2,1-3H3,(H,16,20)
InChIKeyPUZLYAMXNOAAQB-UHFFFAOYSA-N
XLogP0.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985
N-(3-phenylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51103832
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129721
N-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 38231081
N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41444293
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51099822
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 39301978
2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165071
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 32767835

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 132970684) is N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCCN1CC=CCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is PUZLYAMXNOAAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-14(13(2)18(3)17-12)11-15(20)16-7-10-19-8-5-4-6-9-19/h4-5H,6-11H2,1-3H3,(H,16,20).
What are the key properties of N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 132970684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).