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

C10H14F3N3O2 — CID 163333263

IUPACtert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnn1CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)15-7-4-5-14-16(7)6-10(11,12)13/h4-5H,6H2,1-3H3,(H,15,17)
InChIKeyAYJPIKUFUJWQPM-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.79
Rot. Bonds2

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

tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate (PubChem CID 163333263) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate
PubChem CID163333263
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Nametert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccnn1CC(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)15-7-4-5-14-16(7)6-10(11,12)13/h4-5H,6H2,1-3H3,(H,15,17)
InChIKeyAYJPIKUFUJWQPM-UHFFFAOYSA-N
XLogP2.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate (CID 163333263) is tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccnn1CC(F)(F)F.
What is the InChIKey of tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate?
The InChIKey is AYJPIKUFUJWQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)15-7-4-5-14-16(7)6-10(11,12)13/h4-5H,6H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate?
tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate has a molecular weight of 265.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamate is sourced from PubChem (CID 163333263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).