7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

C11H15F3N2O — CID 90162029

IUPAC7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCC1OCCc2c(C(F)(F)F)nn(C(C)C)c21
InChIInChI=1S/C11H15F3N2O/c1-6(2)16-9-7(3)17-5-4-8(9)10(15-16)11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyDIYSGADZKZFLEL-UHFFFAOYSA-N
MW248.25 g/mol
LogP3.12
Rot. Bonds1

About 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (PubChem CID 90162029) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
PubChem CID90162029
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCC1OCCc2c(C(F)(F)F)nn(C(C)C)c21
InChIInChI=1S/C11H15F3N2O/c1-6(2)16-9-7(3)17-5-4-8(9)10(15-16)11(12,13)14/h6-7H,4-5H2,1-3H3
InChIKeyDIYSGADZKZFLEL-UHFFFAOYSA-N
XLogP3.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The IUPAC name of 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (CID 90162029) is 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is CC1OCCc2c(C(F)(F)F)nn(C(C)C)c21.
What is the InChIKey of 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The InChIKey is DIYSGADZKZFLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-6(2)16-9-7(3)17-5-4-8(9)10(15-16)11(12,13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole has a molecular weight of 248.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 90162029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).