N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide

C10H15N3O — CID 170488049

IUPACN-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cn[nH]c1C
InChIInChI=1S/C10H15N3O/c1-8-10(7-12-13-8)5-3-4-6-11-9(2)14/h3,5,7H,4,6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyVOLMZWUTSJAPLX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.26
Rot. Bonds4

About N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide

N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide (PubChem CID 170488049) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide
PubChem CID170488049
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1cn[nH]c1C
InChIInChI=1S/C10H15N3O/c1-8-10(7-12-13-8)5-3-4-6-11-9(2)14/h3,5,7H,4,6H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyVOLMZWUTSJAPLX-UHFFFAOYSA-N
XLogP1.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-ethenylphenyl)but-3-enyl]acetamide
CID 170488202
N-[4-(3-chloro-4-pyridinyl)but-3-enyl]acetamide
CID 170488130
N-[4-[4-(hydroxymethyl)-2-methylphenyl]but-3-enyl]acetamide
CID 170488595
N-[4-(2-hydroxy-5-methylphenyl)but-3-enyl]acetamide
CID 170488274
N-[4-(4-amino-2,5-dimethylphenyl)but-3-enyl]acetamide
CID 170488702
N-[4-(2-fluoro-3-methyl-4-pyridinyl)but-3-enyl]acetamide
CID 170489742
N-[4-(2,4-dimethoxypyrimidin-5-yl)but-3-enyl]acetamide
CID 170489028
N-[4-(6-methylpyridazin-3-yl)but-3-enyl]acetamide
CID 170488101
N-[4-(2,5-difluoro-4-formylphenyl)but-3-enyl]acetamide
CID 170488999
N-[4-[2-hydroxy-4-(trifluoromethyl)phenyl]but-3-enyl]acetamide
CID 170489234
(E)-3-(5-methyl-1H-pyrazol-4-yl)prop-2-enal
CID 135349719
3-(4-acetamidobut-1-enyl)-2-methylbenzoic acid
CID 170488958

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide (CID 170488049) is N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1cn[nH]c1C.
What is the InChIKey of N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide?
The InChIKey is VOLMZWUTSJAPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-10(7-12-13-8)5-3-4-6-11-9(2)14/h3,5,7H,4,6H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide?
N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide has a molecular weight of 193.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-1H-pyrazol-4-yl)but-3-enyl]acetamide is sourced from PubChem (CID 170488049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).