1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea

C15H17F3N4O2 — CID 75454098

IUPAC1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
SMILESCOCCN(C)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H17F3N4O2/c1-21(8-9-24-2)14(23)19-13-6-7-22(20-13)12-5-3-4-11(10-12)15(16,17)18/h3-7,10H,8-9H2,1-2H3,(H,19,20,23)
InChIKeyZUYBIAJLIMQJOL-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.00
Rot. Bonds5

About 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea

1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea (PubChem CID 75454098) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
PubChem CID75454098
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea
SMILESCOCCN(C)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H17F3N4O2/c1-21(8-9-24-2)14(23)19-13-6-7-22(20-13)12-5-3-4-11(10-12)15(16,17)18/h3-7,10H,8-9H2,1-2H3,(H,19,20,23)
InChIKeyZUYBIAJLIMQJOL-UHFFFAOYSA-N
XLogP3.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea 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-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea (CID 75454098) is 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea is COCCN(C)C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea?
The InChIKey is ZUYBIAJLIMQJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-21(8-9-24-2)14(23)19-13-6-7-22(20-13)12-5-3-4-11(10-12)15(16,17)18/h3-7,10H,8-9H2,1-2H3,(H,19,20,23).
What are the key properties of 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea?
1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea has a molecular weight of 342.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]urea is sourced from PubChem (CID 75454098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).