N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide

C12H13N3O2S — CID 18152565

IUPACN-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCn1ccc(NC(=O)CCC(=O)c2cccs2)n1
InChIInChI=1S/C12H13N3O2S/c1-15-7-6-11(14-15)13-12(17)5-4-9(16)10-3-2-8-18-10/h2-3,6-8H,4-5H2,1H3,(H,13,14,17)
InChIKeyGUBDHAATVPUGPG-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.08
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide

N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 18152565) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID18152565
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCn1ccc(NC(=O)CCC(=O)c2cccs2)n1
InChIInChI=1S/C12H13N3O2S/c1-15-7-6-11(14-15)13-12(17)5-4-9(16)10-3-2-8-18-10/h2-3,6-8H,4-5H2,1H3,(H,13,14,17)
InChIKeyGUBDHAATVPUGPG-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 45351737
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108740560
N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796358
4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
CID 43793295
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 46542151
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 55610699
N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide (CID 18152565) is N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide is Cn1ccc(NC(=O)CCC(=O)c2cccs2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is GUBDHAATVPUGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-15-7-6-11(14-15)13-12(17)5-4-9(16)10-3-2-8-18-10/h2-3,6-8H,4-5H2,1H3,(H,13,14,17).
What are the key properties of N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 263.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 18152565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).