methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate

C11H14F3N3O3 — CID 72718811

IUPACmethyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C11H14F3N3O3/c1-19-10(18)15-3-4-17-8-2-5-20-6-7(8)9(16-17)11(12,13)14/h2-6H2,1H3,(H,15,18)
InChIKeyHXKPKAZTBMOSIJ-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.33
Rot. Bonds3

About methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate

methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate (PubChem CID 72718811) has the molecular formula C11H14F3N3O3 and a molecular weight of 293.25 g/mol. Its IUPAC name is methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate
PubChem CID72718811
Molecular FormulaC11H14F3N3O3
Molecular Weight293.25 g/mol
Exact Mass293.10
IUPAC Namemethyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C11H14F3N3O3/c1-19-10(18)15-3-4-17-8-2-5-20-6-7(8)9(16-17)11(12,13)14/h2-6H2,1H3,(H,15,18)
InChIKeyHXKPKAZTBMOSIJ-UHFFFAOYSA-N
XLogP1.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate (CID 72718811) is methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate is COC(=O)NCCn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate?
The InChIKey is HXKPKAZTBMOSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O3/c1-19-10(18)15-3-4-17-8-2-5-20-6-7(8)9(16-17)11(12,13)14/h2-6H2,1H3,(H,15,18).
What are the key properties of methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate?
methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate has a molecular weight of 293.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 72718811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).