2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide

C16H21N3O3 — CID 131951454

IUPAC2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCCCc2ccco2)c1C
InChIInChI=1S/C16H21N3O3/c1-11-16(13(3)20)12(2)19(18-11)10-15(21)17-8-4-6-14-7-5-9-22-14/h5,7,9H,4,6,8,10H2,1-3H3,(H,17,21)
InChIKeyAIGIJKOTRXFYGY-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.04
Rot. Bonds7

About 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide (PubChem CID 131951454) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
PubChem CID131951454
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
SMILESCC(=O)c1c(C)nn(CC(=O)NCCCc2ccco2)c1C
InChIInChI=1S/C16H21N3O3/c1-11-16(13(3)20)12(2)19(18-11)10-15(21)17-8-4-6-14-7-5-9-22-14/h5,7,9H,4,6,8,10H2,1-3H3,(H,17,21)
InChIKeyAIGIJKOTRXFYGY-UHFFFAOYSA-N
XLogP2.04
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 61140986
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311
N-[3-(furan-2-yl)propyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 56643056
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 118776267
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 53056321
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 77081443
N-[3-(furan-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 53283761
2-(2,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100597098
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9080292
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]acetamide
CID 91778612
2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 2100313

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide?
The IUPAC name of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide (CID 131951454) is 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide?
The canonical SMILES for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide is CC(=O)c1c(C)nn(CC(=O)NCCCc2ccco2)c1C.
What is the InChIKey of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide?
The InChIKey is AIGIJKOTRXFYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-16(13(3)20)12(2)19(18-11)10-15(21)17-8-4-6-14-7-5-9-22-14/h5,7,9H,4,6,8,10H2,1-3H3,(H,17,21).
What are the key properties of 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide?
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide is sourced from PubChem (CID 131951454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).