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

C14H21F3N4O — CID 17026430

IUPAC1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea
SMILESCC(Cn1ccc(C(F)(F)F)n1)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H21F3N4O/c1-10(9-21-8-7-12(20-21)14(15,16)17)18-13(22)19-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H2,18,19,22)
InChIKeyVXFHHFPPTCFZPO-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.92
Rot. Bonds4

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

1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea (PubChem CID 17026430) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea
PubChem CID17026430
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea
SMILESCC(Cn1ccc(C(F)(F)F)n1)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H21F3N4O/c1-10(9-21-8-7-12(20-21)14(15,16)17)18-13(22)19-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H2,18,19,22)
InChIKeyVXFHHFPPTCFZPO-UHFFFAOYSA-N
XLogP2.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea (CID 17026430) is 1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea is CC(Cn1ccc(C(F)(F)F)n1)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea?
The InChIKey is VXFHHFPPTCFZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-10(9-21-8-7-12(20-21)14(15,16)17)18-13(22)19-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H2,18,19,22).
What are the key properties of 1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea?
1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea has a molecular weight of 318.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]urea is sourced from PubChem (CID 17026430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).