1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole

C7H7F3N2O — CID 150511795

IUPAC1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole
SMILESFC(F)(F)n1ncc2c1OCCC2
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)12-6-5(4-11-12)2-1-3-13-6/h4H,1-3H2
InChIKeyHZZQZGQCAFOMHD-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.68
Rot. Bonds

About 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole

1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole (PubChem CID 150511795) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole.

Molecular Properties

Compound Name1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole
PubChem CID150511795
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole
SMILESFC(F)(F)n1ncc2c1OCCC2
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)12-6-5(4-11-12)2-1-3-13-6/h4H,1-3H2
InChIKeyHZZQZGQCAFOMHD-UHFFFAOYSA-N
XLogP1.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole?
The IUPAC name of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole (CID 150511795) is 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole.
What is the SMILES notation for 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole?
The canonical SMILES for 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole is FC(F)(F)n1ncc2c1OCCC2.
What is the InChIKey of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole?
The InChIKey is HZZQZGQCAFOMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)12-6-5(4-11-12)2-1-3-13-6/h4H,1-3H2.
What are the key properties of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole?
1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole has a molecular weight of 192.14 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-5,6-dihydro-4H-pyrano[3,2-d]pyrazole is sourced from PubChem (CID 150511795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).