1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea

C13H14BrFN4O — CID 47223200

IUPAC1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESO=C(NCCCn1cccn1)Nc1ccc(F)cc1Br
InChIInChI=1S/C13H14BrFN4O/c14-11-9-10(15)3-4-12(11)18-13(20)16-5-1-7-19-8-2-6-17-19/h2-4,6,8-9H,1,5,7H2,(H2,16,18,20)
InChIKeyNIZMAAPXOMIAMA-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.00
Rot. Bonds5

About 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea

1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea (PubChem CID 47223200) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
PubChem CID47223200
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESO=C(NCCCn1cccn1)Nc1ccc(F)cc1Br
InChIInChI=1S/C13H14BrFN4O/c14-11-9-10(15)3-4-12(11)18-13(20)16-5-1-7-19-8-2-6-17-19/h2-4,6,8-9H,1,5,7H2,(H2,16,18,20)
InChIKeyNIZMAAPXOMIAMA-UHFFFAOYSA-N
XLogP3.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea 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

1-(3-Bromophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808860
1-(1,3-Dimethylpyrazol-4-yl)-3-(4-fluorophenyl)urea
CID 2811435
1-(4-Bromo-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)urea
CID 2808953
1-[(4-Bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-(2,4-difluorophenyl)urea
CID 2819223
N-(4-bromo-2-fluorophenyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026434
1-(4-Fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45814217
1-(3-Chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 45821293
1-(2-Fluoro-5-methylphenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47032421
1-(4-Chloro-3-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47223568
1-[[1-(2,4-Difluorophenyl)pyrazol-4-yl]methyl]-3-ethylurea
CID 49633479
N-[(1-Methyl-1H-pyrazol-4-YL)methyl]-N'-phenylurea
CID 2933645
4-bromo-N-phenylpyrazole-1-carboxamide
CID 804760

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea (CID 47223200) is 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea is O=C(NCCCn1cccn1)Nc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea?
The InChIKey is NIZMAAPXOMIAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c14-11-9-10(15)3-4-12(11)18-13(20)16-5-1-7-19-8-2-6-17-19/h2-4,6,8-9H,1,5,7H2,(H2,16,18,20).
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea?
1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea has a molecular weight of 341.18 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 47223200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).