2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide

C14H16N4O2 — CID 14978586

IUPAC2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)n1cccn1
InChIInChI=1S/C14H16N4O2/c1-11(19)17-13(18-9-5-8-16-18)14(20)15-10-12-6-3-2-4-7-12/h2-9,13H,10H2,1H3,(H,15,20)(H,17,19)
InChIKeyQLRNYHNZMONBCK-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.83
Rot. Bonds5

About 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide

2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide (PubChem CID 14978586) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound Name2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide
PubChem CID14978586
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide
SMILESCC(=O)NC(C(=O)NCc1ccccc1)n1cccn1
InChIInChI=1S/C14H16N4O2/c1-11(19)17-13(18-9-5-8-16-18)14(20)15-10-12-6-3-2-4-7-12/h2-9,13H,10H2,1H3,(H,15,20)(H,17,19)
InChIKeyQLRNYHNZMONBCK-UHFFFAOYSA-N
XLogP0.83
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-2-(3-nitro-1H-pyrazol-1-YL)acetamide
CID 841686
N-(2,6-dimethylphenyl)-N-(1h-pyrazol-1-ylmethyl)oxalamide
CID 146170629
6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231560
6-oxo-N-[(1R)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231673
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231792
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231793
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
4-methyl-N-(5-phenylpentyl)pyrazole-1-carboxamide
CID 118526618
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide?
The IUPAC name of 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide (CID 14978586) is 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide?
The canonical SMILES for 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide is CC(=O)NC(C(=O)NCc1ccccc1)n1cccn1.
What is the InChIKey of 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide?
The InChIKey is QLRNYHNZMONBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11(19)17-13(18-9-5-8-16-18)14(20)15-10-12-6-3-2-4-7-12/h2-9,13H,10H2,1H3,(H,15,20)(H,17,19).
What are the key properties of 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide?
2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide has a molecular weight of 272.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-benzyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 14978586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).