3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C23H24F2N4 — CID 3461830

IUPAC3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCCN3Cc3ccccc3)c3c2NCC3)c(F)c1
InChIInChI=1S/C23H24F2N4/c24-17-9-10-20(19(25)14-17)29-23-18(11-12-26-23)22(27-29)21-8-4-5-13-28(21)15-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,21,26H,4-5,8,11-13,15H2
InChIKeyCFTOPCMSIKHYAZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.85
Rot. Bonds4

About 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3461830) has the molecular formula C23H24F2N4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3461830
Molecular FormulaC23H24F2N4
Molecular Weight394.47 g/mol
Exact Mass394.20
IUPAC Name3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCCN3Cc3ccccc3)c3c2NCC3)c(F)c1
InChIInChI=1S/C23H24F2N4/c24-17-9-10-20(19(25)14-17)29-23-18(11-12-26-23)22(27-29)21-8-4-5-13-28(21)15-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,21,26H,4-5,8,11-13,15H2
InChIKeyCFTOPCMSIKHYAZ-UHFFFAOYSA-N
XLogP4.85
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3461830) is 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Fc1ccc(-n2nc(C3CCCCN3Cc3ccccc3)c3c2NCC3)c(F)c1.
What is the InChIKey of 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is CFTOPCMSIKHYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4/c24-17-9-10-20(19(25)14-17)29-23-18(11-12-26-23)22(27-29)21-8-4-5-13-28(21)15-16-6-2-1-3-7-16/h1-3,6-7,9-10,14,21,26H,4-5,8,11-13,15H2.
What are the key properties of 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 394.47 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-2-yl)-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3461830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).