2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate

C11H14F3N3O3 — CID 47322533

IUPAC2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate
SMILESO=C(Nc1cnn(CC2CCCO2)c1)OCC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)7-20-10(18)16-8-4-15-17(5-8)6-9-2-1-3-19-9/h4-5,9H,1-3,6-7H2,(H,16,18)
InChIKeyIGJZRPHTBSTFCJ-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.17
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate

2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate (PubChem CID 47322533) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate
PubChem CID47322533
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Name2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate
SMILESO=C(Nc1cnn(CC2CCCO2)c1)OCC(F)(F)F
InChIInChI=1S/C11H14F3N3O3/c12-11(13,14)7-20-10(18)16-8-4-15-17(5-8)6-9-2-1-3-19-9/h4-5,9H,1-3,6-7H2,(H,16,18)
InChIKeyIGJZRPHTBSTFCJ-UHFFFAOYSA-N
XLogP2.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate (CID 47322533) is 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate is O=C(Nc1cnn(CC2CCCO2)c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate?
The InChIKey is IGJZRPHTBSTFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c12-11(13,14)7-20-10(18)16-8-4-15-17(5-8)6-9-2-1-3-19-9/h4-5,9H,1-3,6-7H2,(H,16,18).
What are the key properties of 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate?
2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate has a molecular weight of 293.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 47322533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).