3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea

C17H23BrN4O — CID 53007926

IUPAC3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
SMILESCCn1nc(C)c(CCN(C)C(=O)Nc2cccc(Br)c2)c1C
InChIInChI=1S/C17H23BrN4O/c1-5-22-13(3)16(12(2)20-22)9-10-21(4)17(23)19-15-8-6-7-14(18)11-15/h6-8,11H,5,9-10H2,1-4H3,(H,19,23)
InChIKeyADSWATVLBURZLL-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.99
Rot. Bonds5

About 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea

3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea (PubChem CID 53007926) has the molecular formula C17H23BrN4O and a molecular weight of 379.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
PubChem CID53007926
Molecular FormulaC17H23BrN4O
Molecular Weight379.30 g/mol
Exact Mass378.11
IUPAC Name3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
SMILESCCn1nc(C)c(CCN(C)C(=O)Nc2cccc(Br)c2)c1C
InChIInChI=1S/C17H23BrN4O/c1-5-22-13(3)16(12(2)20-22)9-10-21(4)17(23)19-15-8-6-7-14(18)11-15/h6-8,11H,5,9-10H2,1-4H3,(H,19,23)
InChIKeyADSWATVLBURZLL-UHFFFAOYSA-N
XLogP3.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea 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

3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
CID 53086282
3-(4-bromophenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53007915
3-(3-chloro-4-methylphenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53086252
3-(3,4-dimethoxyphenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53029162
N-[N-(3-bromophenyl)-N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]carbamimidoyl]-3-fluoro-4-methylbenzamide
CID 46293217
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
2-N-(3-chlorophenyl)-5-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353817
N-(3-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 6466747
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
3-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63276901
(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 95130797
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
The IUPAC name of 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea (CID 53007926) is 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea is CCn1nc(C)c(CCN(C)C(=O)Nc2cccc(Br)c2)c1C.
What is the InChIKey of 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
The InChIKey is ADSWATVLBURZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O/c1-5-22-13(3)16(12(2)20-22)9-10-21(4)17(23)19-15-8-6-7-14(18)11-15/h6-8,11H,5,9-10H2,1-4H3,(H,19,23).
What are the key properties of 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea has a molecular weight of 379.30 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea is sourced from PubChem (CID 53007926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).