1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea

C15H23F3N4O — CID 19590442

IUPAC1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
SMILESCC(CNC(=O)NC1CCCCC1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H23F3N4O/c1-11(10-22-8-7-13(21-22)15(16,17)18)9-19-14(23)20-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,20,23)
InChIKeyUMIQMPNIUYJAGL-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.17
Rot. Bonds5

About 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea

1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea (PubChem CID 19590442) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
PubChem CID19590442
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
SMILESCC(CNC(=O)NC1CCCCC1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H23F3N4O/c1-11(10-22-8-7-13(21-22)15(16,17)18)9-19-14(23)20-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,20,23)
InChIKeyUMIQMPNIUYJAGL-UHFFFAOYSA-N
XLogP3.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]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-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-(4-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448561
N-(2,2-difluoroethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448682
N-(1-methoxybutan-2-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448733
N-(3-fluoropropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448755
N-(2-methoxy-2-methylpropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 84597978
N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 118740652
N-cyclohexyl-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 841979
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
N-hexyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 132597454

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea (CID 19590442) is 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea is CC(CNC(=O)NC1CCCCC1)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
The InChIKey is UMIQMPNIUYJAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-11(10-22-8-7-13(21-22)15(16,17)18)9-19-14(23)20-12-5-3-2-4-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H2,19,20,23).
What are the key properties of 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea has a molecular weight of 332.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]urea is sourced from PubChem (CID 19590442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).