1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea

C16H25F3N4O — CID 17026395

IUPAC1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
SMILESCc1cc(C(F)(F)F)nn1CC(C)CNC(=O)NC1CCCCC1
InChIInChI=1S/C16H25F3N4O/c1-11(9-20-15(24)21-13-6-4-3-5-7-13)10-23-12(2)8-14(22-23)16(17,18)19/h8,11,13H,3-7,9-10H2,1-2H3,(H2,20,21,24)
InChIKeyBJICSIMIUNETJU-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.48
Rot. Bonds5

About 1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea

1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea (PubChem CID 17026395) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
PubChem CID17026395
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
SMILESCc1cc(C(F)(F)F)nn1CC(C)CNC(=O)NC1CCCCC1
InChIInChI=1S/C16H25F3N4O/c1-11(9-20-15(24)21-13-6-4-3-5-7-13)10-23-12(2)8-14(22-23)16(17,18)19/h8,11,13H,3-7,9-10H2,1-2H3,(H2,20,21,24)
InChIKeyBJICSIMIUNETJU-UHFFFAOYSA-N
XLogP3.48
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.48
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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea (CID 17026395) is 1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea is Cc1cc(C(F)(F)F)nn1CC(C)CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
The InChIKey is BJICSIMIUNETJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-11(9-20-15(24)21-13-6-4-3-5-7-13)10-23-12(2)8-14(22-23)16(17,18)19/h8,11,13H,3-7,9-10H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea?
1-cyclohexyl-3-[2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea has a molecular weight of 346.40 g/mol, XLogP of 3.48, 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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea is sourced from PubChem (CID 17026395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).