1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

C15H17F3N4O — CID 71808079

IUPAC1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2ccc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C15H17F3N4O/c1-10-3-4-12(9-11(10)2)20-14(23)19-6-8-22-7-5-13(21-22)15(16,17)18/h3-5,7,9H,6,8H2,1-2H3,(H2,19,20,23)
InChIKeyHLPDVPGBCVYEEG-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.34
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (PubChem CID 71808079) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
PubChem CID71808079
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESCc1ccc(NC(=O)NCCn2ccc(C(F)(F)F)n2)cc1C
InChIInChI=1S/C15H17F3N4O/c1-10-3-4-12(9-11(10)2)20-14(23)19-6-8-22-7-5-13(21-22)15(16,17)18/h3-5,7,9H,6,8H2,1-2H3,(H2,19,20,23)
InChIKeyHLPDVPGBCVYEEG-UHFFFAOYSA-N
XLogP3.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]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

3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
3,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588556
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535
1-(3,4-dimethylphenyl)-3-[2-(6-oxopyrimidin-1-yl)ethyl]urea
CID 121121642
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588586
3,4-difluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588575
1-(1-adamantyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
CID 90588791
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588569
1-methyl-2-oxo-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
CID 71808010
2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (CID 71808079) is 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is Cc1ccc(NC(=O)NCCn2ccc(C(F)(F)F)n2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The InChIKey is HLPDVPGBCVYEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-10-3-4-12(9-11(10)2)20-14(23)19-6-8-22-7-5-13(21-22)15(16,17)18/h3-5,7,9H,6,8H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea has a molecular weight of 326.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is sourced from PubChem (CID 71808079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).