1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea

C11H14N4OS — CID 71854433

IUPAC1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea
SMILESO=C(NCCCn1cccn1)Nc1ccsc1
InChIInChI=1S/C11H14N4OS/c16-11(14-10-3-8-17-9-10)12-4-1-6-15-7-2-5-13-15/h2-3,5,7-9H,1,4,6H2,(H2,12,14,16)
InChIKeyRCEAATKMMZKLPP-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.16
Rot. Bonds5

About 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea

1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea (PubChem CID 71854433) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea
PubChem CID71854433
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea
SMILESO=C(NCCCn1cccn1)Nc1ccsc1
InChIInChI=1S/C11H14N4OS/c16-11(14-10-3-8-17-9-10)12-4-1-6-15-7-2-5-13-15/h2-3,5,7-9H,1,4,6H2,(H2,12,14,16)
InChIKeyRCEAATKMMZKLPP-UHFFFAOYSA-N
XLogP2.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea (CID 71854433) is 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea is O=C(NCCCn1cccn1)Nc1ccsc1.
What is the InChIKey of 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea?
The InChIKey is RCEAATKMMZKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c16-11(14-10-3-8-17-9-10)12-4-1-6-15-7-2-5-13-15/h2-3,5,7-9H,1,4,6H2,(H2,12,14,16).
What are the key properties of 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea?
1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea has a molecular weight of 250.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazol-1-ylpropyl)-3-thiophen-3-ylurea is sourced from PubChem (CID 71854433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).