1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea

C9H13F3N4O2 — CID 56788684

IUPAC1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
SMILESCOCCN(CC(F)(F)F)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H13F3N4O2/c1-18-3-2-16(6-9(10,11)12)8(17)15-7-4-13-14-5-7/h4-5H,2-3,6H2,1H3,(H,13,14)(H,15,17)
InChIKeyULPQPVQYQBBIIU-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.45
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea

1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea (PubChem CID 56788684) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
PubChem CID56788684
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea
SMILESCOCCN(CC(F)(F)F)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H13F3N4O2/c1-18-3-2-16(6-9(10,11)12)8(17)15-7-4-13-14-5-7/h4-5H,2-3,6H2,1H3,(H,13,14)(H,15,17)
InChIKeyULPQPVQYQBBIIU-UHFFFAOYSA-N
XLogP1.45
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea (CID 56788684) is 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea is COCCN(CC(F)(F)F)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is ULPQPVQYQBBIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-18-3-2-16(6-9(10,11)12)8(17)15-7-4-13-14-5-7/h4-5H,2-3,6H2,1H3,(H,13,14)(H,15,17).
What are the key properties of 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea?
1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 266.22 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 56788684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).