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

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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).