1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea

C10H15F3N4O2 — CID 99800249

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
SMILESCC(C)(C)ONC(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2/c1-9(2,3)19-16-8(18)14-7-4-5-17(15-7)6-10(11,12)13/h4-5H,6H2,1-3H3,(H2,14,15,16,18)
InChIKeyWAFBZAXHHFSJMS-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.30
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea

1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea (PubChem CID 99800249) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
PubChem CID99800249
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
SMILESCC(C)(C)ONC(=O)Nc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O2/c1-9(2,3)19-16-8(18)14-7-4-5-17(15-7)6-10(11,12)13/h4-5H,6H2,1-3H3,(H2,14,15,16,18)
InChIKeyWAFBZAXHHFSJMS-UHFFFAOYSA-N
XLogP2.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea (CID 99800249) is 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea is CC(C)(C)ONC(=O)Nc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
The InChIKey is WAFBZAXHHFSJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-9(2,3)19-16-8(18)14-7-4-5-17(15-7)6-10(11,12)13/h4-5H,6H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea?
1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea has a molecular weight of 280.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 99800249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).