N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide

C17H25N3OS — CID 131916941

IUPACN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
SMILESCCn1nc(C)c(C(C)NC(=O)CCCc2cccs2)c1C
InChIInChI=1S/C17H25N3OS/c1-5-20-14(4)17(13(3)19-20)12(2)18-16(21)10-6-8-15-9-7-11-22-15/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,18,21)
InChIKeyMBVGLESMXNCJCL-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.78
Rot. Bonds7

About N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide (PubChem CID 131916941) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
PubChem CID131916941
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide
SMILESCCn1nc(C)c(C(C)NC(=O)CCCc2cccs2)c1C
InChIInChI=1S/C17H25N3OS/c1-5-20-14(4)17(13(3)19-20)12(2)18-16(21)10-6-8-15-9-7-11-22-15/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,18,21)
InChIKeyMBVGLESMXNCJCL-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 118793475
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 129478459
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 112765398
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726837
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 51726838
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[[(2R)-1-thiophen-2-ylpropan-2-yl]amino]acetamide
CID 95125451
3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propanamide
CID 125167544
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 51212418

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide (CID 131916941) is N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide is CCn1nc(C)c(C(C)NC(=O)CCCc2cccs2)c1C.
What is the InChIKey of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is MBVGLESMXNCJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-5-20-14(4)17(13(3)19-20)12(2)18-16(21)10-6-8-15-9-7-11-22-15/h7,9,11-12H,5-6,8,10H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide?
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 319.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 131916941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).