4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one

C11H12N2OS — CID 43793295

IUPAC4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCn1cccn1)c1cccs1
InChIInChI=1S/C11H12N2OS/c14-10(11-5-2-9-15-11)4-1-7-13-8-3-6-12-13/h2-3,5-6,8-9H,1,4,7H2
InChIKeyLRXGCTHGNBXZQU-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.61
Rot. Bonds5

About 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one

4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one (PubChem CID 43793295) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
PubChem CID43793295
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
SMILESO=C(CCCn1cccn1)c1cccs1
InChIInChI=1S/C11H12N2OS/c14-10(11-5-2-9-15-11)4-1-7-13-8-3-6-12-13/h2-3,5-6,8-9H,1,4,7H2
InChIKeyLRXGCTHGNBXZQU-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 43229376
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
1-thiophen-2-yl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 12960128
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
3-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
CID 94270119
1-methyl-3-(4-oxo-4-thiophen-2-ylbutyl)imidazolidin-2-one
CID 62491674
4-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-2-ylbutan-1-one
CID 62773651
4-(4-oxo-4-thiophen-2-ylbutyl)piperazin-2-one
CID 60692143
3-(tetrazol-2-yl)-1-thiophen-2-ylpropan-1-one
CID 170859372
7-imidazol-1-yl-1-thiophen-2-yldecan-1-one
CID 23365334

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one (CID 43793295) is 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one is O=C(CCCn1cccn1)c1cccs1.
What is the InChIKey of 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one?
The InChIKey is LRXGCTHGNBXZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-10(11-5-2-9-15-11)4-1-7-13-8-3-6-12-13/h2-3,5-6,8-9H,1,4,7H2.
What are the key properties of 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one?
4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one has a molecular weight of 220.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 43793295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).