1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

C10H13F3N2O — CID 121214644

IUPAC1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C10H13F3N2O/c1-6(2)15-8-3-4-16-5-7(8)9(14-15)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyBPNCCDIUROWVGQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.56
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole

1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (PubChem CID 121214644) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
PubChem CID121214644
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
SMILESCC(C)n1nc(C(F)(F)F)c2c1CCOC2
InChIInChI=1S/C10H13F3N2O/c1-6(2)15-8-3-4-16-5-7(8)9(14-15)10(11,12)13/h6H,3-5H2,1-2H3
InChIKeyBPNCCDIUROWVGQ-UHFFFAOYSA-N
XLogP2.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole (CID 121214644) is 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is CC(C)n1nc(C(F)(F)F)c2c1CCOC2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
The InChIKey is BPNCCDIUROWVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6(2)15-8-3-4-16-5-7(8)9(14-15)10(11,12)13/h6H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole?
1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole has a molecular weight of 234.22 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole is sourced from PubChem (CID 121214644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).