3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C16H16F3N3O — CID 3393213

IUPAC3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFC(F)(F)c1ccc(-n2nc(C3CCCO3)c3c2NCC3)cc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)10-3-5-11(6-4-10)22-15-12(7-8-20-15)14(21-22)13-2-1-9-23-13/h3-6,13,20H,1-2,7-9H2
InChIKeyVNKRLSSFZVEBCQ-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.71
Rot. Bonds2

About 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3393213) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3393213
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFC(F)(F)c1ccc(-n2nc(C3CCCO3)c3c2NCC3)cc1
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)10-3-5-11(6-4-10)22-15-12(7-8-20-15)14(21-22)13-2-1-9-23-13/h3-6,13,20H,1-2,7-9H2
InChIKeyVNKRLSSFZVEBCQ-UHFFFAOYSA-N
XLogP3.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3393213) is 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is FC(F)(F)c1ccc(-n2nc(C3CCCO3)c3c2NCC3)cc1.
What is the InChIKey of 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is VNKRLSSFZVEBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)10-3-5-11(6-4-10)22-15-12(7-8-20-15)14(21-22)13-2-1-9-23-13/h3-6,13,20H,1-2,7-9H2.
What are the key properties of 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 323.32 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3393213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).