1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea

C18H17ClN4O2 — CID 55746582

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESO=C(NCCOc1ccc(Cl)cc1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H17ClN4O2/c19-14-5-7-17(8-6-14)25-12-10-20-18(24)22-15-3-1-4-16(13-15)23-11-2-9-21-23/h1-9,11,13H,10,12H2,(H2,20,22,24)
InChIKeyGALIXJXTIABVBU-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.73
Rot. Bonds6

About 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea

1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 55746582) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID55746582
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESO=C(NCCOc1ccc(Cl)cc1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C18H17ClN4O2/c19-14-5-7-17(8-6-14)25-12-10-20-18(24)22-15-3-1-4-16(13-15)23-11-2-9-21-23/h1-9,11,13H,10,12H2,(H2,20,22,24)
InChIKeyGALIXJXTIABVBU-UHFFFAOYSA-N
XLogP3.73
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)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-pyrazol-1-ylphenyl)-3-[3-(pyridin-2-ylamino)propyl]urea
CID 47048736
1-[2-(4-chlorophenoxy)ethyl]-3-(3,4-difluorophenyl)urea
CID 112971005
1-[2-(4-chlorophenoxy)ethyl]-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]urea
CID 86902399
2-(4-pyrazol-1-ylphenoxy)ethylcarbamic acid
CID 18532928
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 55746297
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47149786
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
CID 67416108
1-(4-chlorophenyl)-N-(3-pyrazol-1-ylphenyl)triazole-4-carboxamide
CID 47045295
1-[2-(4-chlorophenoxy)ethyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600852
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea (CID 55746582) is 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea is O=C(NCCOc1ccc(Cl)cc1)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is GALIXJXTIABVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-5-7-17(8-6-14)25-12-10-20-18(24)22-15-3-1-4-16(13-15)23-11-2-9-21-23/h1-9,11,13H,10,12H2,(H2,20,22,24).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea?
1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 356.81 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 55746582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).