2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate

C10H14F3N3O2 — CID 50986568

IUPAC2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate
SMILESCC(C)Cn1nccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-7(2)5-16-8(3-4-14-16)15-9(17)18-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyFOIPVGJETWKNPS-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.65
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate

2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate (PubChem CID 50986568) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate
PubChem CID50986568
Molecular FormulaC10H14F3N3O2
Molecular Weight265.24 g/mol
Exact Mass265.10
IUPAC Name2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate
SMILESCC(C)Cn1nccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-7(2)5-16-8(3-4-14-16)15-9(17)18-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,15,17)
InChIKeyFOIPVGJETWKNPS-UHFFFAOYSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate (CID 50986568) is 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate is CC(C)Cn1nccc1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate?
The InChIKey is FOIPVGJETWKNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-7(2)5-16-8(3-4-14-16)15-9(17)18-6-10(11,12)13/h3-4,7H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate?
2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate has a molecular weight of 265.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(2-methylpropyl)pyrazol-3-yl]carbamate is sourced from PubChem (CID 50986568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).