ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C10H15F3N2O — CID 144505412

IUPACethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCC.Cn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C8H9F3N2O.C2H6/c1-13-6-2-3-14-4-5(6)7(12-13)8(9,10)11;1-2/h2-4H2,1H3;1-2H3
InChIKeyJBWRUUMUPNWJDQ-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.54
Rot. Bonds

About ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 144505412) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID144505412
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Nameethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCC.Cn1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C8H9F3N2O.C2H6/c1-13-6-2-3-14-4-5(6)7(12-13)8(9,10)11;1-2/h2-4H2,1H3;1-2H3
InChIKeyJBWRUUMUPNWJDQ-UHFFFAOYSA-N
XLogP2.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 144505412) is ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is CC.Cn1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is JBWRUUMUPNWJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O.C2H6/c1-13-6-2-3-14-4-5(6)7(12-13)8(9,10)11;1-2/h2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 236.24 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 144505412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).