1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

C10H15F3N4O2 — CID 71808074

IUPAC1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESCOCCNC(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2/c1-19-7-4-15-9(18)14-3-6-17-5-2-8(16-17)10(11,12)13/h2,5H,3-4,6-7H2,1H3,(H2,14,15,18)
InChIKeySMVCZTMQKUHSOR-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.85
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea

1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (PubChem CID 71808074) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
PubChem CID71808074
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
SMILESCOCCNC(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2/c1-19-7-4-15-9(18)14-3-6-17-5-2-8(16-17)10(11,12)13/h2,5H,3-4,6-7H2,1H3,(H2,14,15,18)
InChIKeySMVCZTMQKUHSOR-UHFFFAOYSA-N
XLogP0.85
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea (CID 71808074) is 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is COCCNC(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
The InChIKey is SMVCZTMQKUHSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-19-7-4-15-9(18)14-3-6-17-5-2-8(16-17)10(11,12)13/h2,5H,3-4,6-7H2,1H3,(H2,14,15,18).
What are the key properties of 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea?
1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea has a molecular weight of 280.25 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea is sourced from PubChem (CID 71808074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).