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

C19H16F3N3 — CID 3539356

IUPAC3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFC(F)(F)c1ccc(-n2nc(Cc3ccccc3)c3c2NCC3)cc1
InChIInChI=1S/C19H16F3N3/c20-19(21,22)14-6-8-15(9-7-14)25-18-16(10-11-23-18)17(24-25)12-13-4-2-1-3-5-13/h1-9,23H,10-12H2
InChIKeyBFONCJLSNZPAMV-UHFFFAOYSA-N
MW343.35 g/mol
LogP4.45
Rot. Bonds3

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

3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3539356) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3539356
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFC(F)(F)c1ccc(-n2nc(Cc3ccccc3)c3c2NCC3)cc1
InChIInChI=1S/C19H16F3N3/c20-19(21,22)14-6-8-15(9-7-14)25-18-16(10-11-23-18)17(24-25)12-13-4-2-1-3-5-13/h1-9,23H,10-12H2
InChIKeyBFONCJLSNZPAMV-UHFFFAOYSA-N
XLogP4.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3539356) is 3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is FC(F)(F)c1ccc(-n2nc(Cc3ccccc3)c3c2NCC3)cc1.
What is the InChIKey of 3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is BFONCJLSNZPAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c20-19(21,22)14-6-8-15(9-7-14)25-18-16(10-11-23-18)17(24-25)12-13-4-2-1-3-5-13/h1-9,23H,10-12H2.
What are the key properties of 3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 343.35 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3539356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).