1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

C9H11F3N2O — CID 118971784

IUPAC1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCCn1nc(C(F)(F)F)c2c1COCC2
InChIInChI=1S/C9H11F3N2O/c1-2-14-7-5-15-4-3-6(7)8(13-14)9(10,11)12/h2-5H2,1H3
InChIKeyQQAMCFVHVJRHOK-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.99
Rot. Bonds1

About 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (PubChem CID 118971784) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
PubChem CID118971784
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCCn1nc(C(F)(F)F)c2c1COCC2
InChIInChI=1S/C9H11F3N2O/c1-2-14-7-5-15-4-3-6(7)8(13-14)9(10,11)12/h2-5H2,1H3
InChIKeyQQAMCFVHVJRHOK-UHFFFAOYSA-N
XLogP1.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (CID 118971784) is 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is CCn1nc(C(F)(F)F)c2c1COCC2.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The InChIKey is QQAMCFVHVJRHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-2-14-7-5-15-4-3-6(7)8(13-14)9(10,11)12/h2-5H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole has a molecular weight of 220.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 118971784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).